CAS: 108-88-3 Molecular Formula: C7H8 Molecular Weight (g/mol): 92.14 MDL Number: MFCD00008512 InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N Synonym: monomethyl benzene, tolu-sol, antisal 1a, toluen, methacide, methylbenzol, benzene, methyl, phenylmethane, toluol, methylbenzene PubChem CID: 1140 ChEBI: CHEBI:17578 IUPAC Name: toluene SMILES: CC1=CC=CC=C1

CAS: 142-82-5 Molecular Formula: C7H16 Molecular Weight (g/mol): 100.21 MDL Number: MFCD00009544 InChI Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N Synonym: heptan polish, eptani, heptanen, skellysolve c, gettysolve-c, dipropyl methane, heptyl hydride, heptan, dipropylmethane, n-heptane PubChem CID: 8900 ChEBI: CHEBI:43098 IUPAC Name: heptane SMILES: CCCCCCC

CAS: 109-66-0 Molecular Formula: C5H12 Molecular Weight (g/mol): 72.15 MDL Number: MFCD00009498 InChI Key: OFBQJSOFQDEBGM-UHFFFAOYSA-N Synonym: pentan polish, tetraspot, tetrakil, tetrafume, amyl hydride, pentani, pentanen, skellysolve a, pentan, n-pentane PubChem CID: 8003 ChEBI: CHEBI:37830 IUPAC Name: pentane SMILES: CCCCC

CAS: 544-76-3 Molecular Formula: C₁₆H₃₄ Molecular Weight (g/mol): 226.44 MDL Number: MFCD00008998 InChI Key: DCAYPVUWAIABOU-UHFFFAOYSA-N Synonym: pentadecane, methyl, ccris 5833, unii-f8z00shp6q, zetan, cetan, hexadekan, hexadecan, n-cetane, cetane, n-hexadecane PubChem CID: 11006 ChEBI: CHEBI:45296 IUPAC Name: hexadecane SMILES: CCCCCCCCCCCCCCCC

CAS: 108-88-3 Molecular Formula: C7H8 Molecular Weight (g/mol): 92.14 MDL Number: MFCD00008512 InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N Synonym: monomethyl benzene, tolu-sol, antisal 1a, toluen, methacide, methylbenzol, benzene, methyl, phenylmethane, toluol, methylbenzene PubChem CID: 1140 ChEBI: CHEBI:17578 IUPAC Name: toluene SMILES: CC1=CC=CC=C1

CAS: 108-88-3 Molecular Formula: C7H8 Molecular Weight (g/mol): 92.14 MDL Number: MFCD00008512 InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N Synonym: monomethyl benzene, tolu-sol, antisal 1a, toluen, methacide, methylbenzol, benzene, methyl, phenylmethane, toluol, methylbenzene PubChem CID: 1140 ChEBI: CHEBI:17578 IUPAC Name: toluene SMILES: CC1=CC=CC=C1

CAS: 8042-47-5 Molecular Formula: C16H10N2Na2O7S2 Molecular Weight (g/mol): 452.363 MDL Number: MFCD00131611 InChI Key: AEOVEGJBKQQFOP-DDVLFWKVSA-L Synonym: hexacol orange g, dolkwal orange g, colacid orange g, light orange g, c.i. food orange 4, c.i. orange g, c.i. acid orange 10, orange g, wool orange 2g, acid orange 10 PubChem CID: 9566064 IUPAC Name: disodium;(8Z)-7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate SMILES: C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

CAS: 110-83-8 InChI Key: HGCIXCUEYOPUTN-UHFFFAOYSA-N Synonym: 3,4,5,6-tetrahydrobenzene, benzene, tetrahydro, cykloheksen, 1-cyclohexene, hexanaphthylene, benzenetetrahydride, 1,2,3,4-tetrahydrobenzene, benzene tetrahydride, cyclohex-1-ene, tetrahydrobenzene PubChem CID: 8079 ChEBI: CHEBI:36404 IUPAC Name: cyclohexene SMILES: C1CCC=CC1

CAS: 540-84-1 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.232 MDL Number: MFCD00008943 InChI Key: NHTMVDHEPJAVLT-UHFFFAOYSA-N Synonym: isobutyltrimethylethane, i-octane, 2, 2, 4-trimethylpentane, ch3 2chch2c ch3 3, unii-qab8f5669o, 2,4,4-trimethylpentane, iso-octane, pentane, 2,2,4-trimethyl, isobutyltrimethylmethane, isooctane PubChem CID: 10907 ChEBI: CHEBI:62805 IUPAC Name: 2,2,4-trimethylpentane SMILES: CC(C)CC(C)(C)C

CAS: 112-40-3 Molecular Weight (g/mol): 170.34 MDL Number: MFCD00008969 InChI Key: SNRUBQQJIBEYMU-UHFFFAOYSA-N Synonym: ccris 661, undecane, methyl, alkanes, c10-14, duodecane, n-dodecan german, n-dodecan, adakane 12, bihexyl, dihexyl, n-dodecane PubChem CID: 8182 ChEBI: CHEBI:28817 IUPAC Name: dodecane SMILES: CCCCCCCCCCCC

CAS: 80-62-6 Molecular Formula: C₅H₈O₂ Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008587 InChI Key: VVQNEPGJFQJSBK-UHFFFAOYSA-N Synonym: methyl 2-methyl-2-propenoate, acryester m, diakon, methyl-methacrylat, pegalan, methyl 2-methylpropenoate, methyl methylacrylate, methacrylic acid methyl ester, methylmethacrylate, methyl methacrylate PubChem CID: 6658 ChEBI: CHEBI:34840 IUPAC Name: methyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC

CAS: 302-79-4 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00001551 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: atra, vesanoid, retin-a, airol, renova, trans-retinoic acid, all-trans-retinoic acid, vitamin a acid, tretinoin, retinoic acid PubChem CID: 444795 ChEBI: CHEBI:15367 IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O

CAS: 92-52-4 Molecular Formula: C12H10 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00003054 InChI Key: ZUOUZKKEUPVFJK-UHFFFAOYSA-N Synonym: carolid al, tetrosin ly, phenador-x, xenene, lemonene, bibenzene, 1,1'-diphenyl, diphenyl, phenylbenzene, biphenyl PubChem CID: 7095 ChEBI: CHEBI:17097 IUPAC Name: 1,1'-biphenyl SMILES: C1=CC=C(C=C1)C1=CC=CC=C1

CAS: 112-88-9 Molecular Formula: C₁₈H₃₆ Molecular Weight (g/mol): 252.48 InChI Key: CCCMONHAUSKTEQ-UHFFFAOYSA-N Synonym: linear octadecene, 1-octadecene, analytical standard, alkenes, c14-20 .alpha., h5zuq6v4ak, octadecene-1, unii-h5zuq6v4ak, .alpha.-octadecene, alpha-octadecene, octadecene, 1-octadecene PubChem CID: 8217 ChEBI: CHEBI:30824 IUPAC Name: octadec-1-ene SMILES: CCCCCCCCCCCCCCCCC=C

CAS: 110-16-7 Molecular Formula: C4H4O4 Molecular Weight (g/mol): 116.07 MDL Number: MFCD00063177 InChI Key: VZCYOOQTPOCHFL-OWOJBTEDSA-N Synonym: z-butenedioic acid, cis-1,2-ethylenedicarboxylic acid, maleate, 2-butenedioic acid z, 2z-but-2-enedioic acid, malenic acid, maleinic acid, toxilic acid, cis-butenedioic acid, maleic acid PubChem CID: 444266 ChEBI: CHEBI:18300 IUPAC Name: (Z)-but-2-enedioic acid SMILES: OC(=O)\C=C\C(O)=O

CAS: 9004-98-2 Molecular Formula: C58H116O21 Molecular Weight (g/mol): 1149.55 MDL Number: MFCD00074369 InChI Key: TVSFHLHLHUYZNN-KTKRTIGZSA-N Synonym: Polyoxyethylene(20) oleyl ether PubChem CID: 5364713 IUPAC Name: (69Z)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxaoctaheptacont-69-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

CAS: 78-78-4 Molecular Formula: C5H12 Molecular Weight (g/mol): 72.15 MDL Number: MFCD00009338 InChI Key: QWTDNUCVQCZILF-UHFFFAOYSA-N Synonym: iso-c5h12, butanes, 1,1-dimethylpropane, iso-pentane, 1,1,2-trimethylethane, ethyldimethylmethane, dimethylethylmethane, butane, 2-methyl, isoamylhydride, isopentane PubChem CID: 6556 ChEBI: CHEBI:30362 IUPAC Name: 2-methylbutane SMILES: CCC(C)C

CAS: 106-42-3 Molecular Formula: C8H10 Molecular Weight (g/mol): 106.17 MDL Number: MFCD00008556 InChI Key: URLKBWYHVLBVBO-UHFFFAOYSA-N Synonym: 4-methyltoluene, chromar, 4-xylene, benzene, 1,4-dimethyl, p-xylol, p-dimethylbenzene, p-methyltoluene, 1,4-dimethylbenzene, para-xylene, p-xylene PubChem CID: 7809 ChEBI: CHEBI:27417 IUPAC Name: 1,4-xylene SMILES: CC1=CC=C(C)C=C1

CAS: 1135-24-6 Molecular Formula: C₁₀H₁₀O₄ Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: 2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl, ferulic acid, trans, ferulate, coniferic acid, e-ferulic acid, 3-4-hydroxy-3-methoxyphenyl acrylic acid, trans-4-hydroxy-3-methoxycinnamic acid, 4-hydroxy-3-methoxycinnamic acid, trans-ferulic acid, ferulic acid PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

CAS: 8009-03-8 Molecular Formula: C15H15N Molecular Weight (g/mol): 209.29 MDL Number: MFCD00147839 InChI Key: WJZSZXCWMATYFX-UHFFFAOYSA-N Synonym: 1,1,2-trimethylhydrobenzo e indole, 2,3,3-trimethyl-1h-benz e indolenine, 1h-benz e indole, 1,1,2-trimethyl, 1,1,2-trimethylbenzo e indole, 2,3,3-trimethylbenzoindolenine, 2,3,3-trimethyl-4,5-benzo-3h-indole, 1,1,2-trimethylbenz e indole, 1,1,2-trimethyl-1h-benz e indole, 1,1,2-trimethyl-1h-benzo e indole PubChem CID: 170530 IUPAC Name: 1,1,2-trimethylbenzo[e]indole SMILES: CC1=NC2=C(C1(C)C)C3=CC=CC=C3C=C2

CAS: 108-31-6 Molecular Formula: C4H2O3 Molecular Weight (g/mol): 98.06 MDL Number: MFCD00005518 InChI Key: FPYJFEHAWHCUMM-UHFFFAOYSA-N Synonym: rcra waste number u147, maleinanhydrid, polymaleic anhydride, 2,5-dihydrofuran-2,5-dione, cis-butenedioic anhydride, dihydro-2,5-dioxofuran, toxilic anhydride, maleic acid anhydride, 2,5-furandione, maleic anhydride PubChem CID: 7923 ChEBI: CHEBI:474859 SMILES: O=C1OC(=O)C=C1

CAS: 91-17-8 Molecular Formula: C₁₀H₁₈ Molecular Weight (g/mol): 138.25 MDL Number: MFCD00004130 InChI Key: NNBZCPXTIHJBJL-UHFFFAOYSA-N Synonym: naphthalane, trans-decalin, perhydronaphthalene, naphthalene, decahydro, dekalin, cis-decalin, trans-decahydronaphthalene, cis-decahydronaphthalene, decahydronaphthalene, decalin PubChem CID: 7044 ChEBI: CHEBI:38853 IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene SMILES: C1CCC2CCCCC2C1

CAS: 62758-13-8 Molecular Formula: C12H6NNaO4 Molecular Weight (g/mol): 251.173 MDL Number: MFCD00005036 InChI Key: IVGPGQSSDLDOLH-UHFFFAOYSA-M Synonym: 7-Hydroxy-3H-phenoxazin-3-one 10-oxide, sodium salt PubChem CID: 112939 IUPAC Name: sodium;10-oxido-7-oxophenoxazin-10-ium-3-olate SMILES: C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=[N+]2[O-].[Na+]

CAS: 16561-29-8 Molecular Formula: C36H56O8 Molecular Weight (g/mol): 616.84 MDL Number: MFCD00036736 InChI Key: PHEDXBVPIONUQT-RGYGYFBISA-N Synonym: phorbol-12-myristate-13-acetate, phorbol 13-acetate 12-myristate, factor a1 croton oil, 12-tetradecanoylphorbol 13-acetate, tetradecanoylphorbol acetate, factor a1, 12-o-tetradecanoylphorbol 13-acetate, 12-o-tetradecanoylphorbol-13-acetate, phorbol ester, phorbol 12-myristate 13-acetate PubChem CID: 27924 ChEBI: CHEBI:37537 IUPAC Name: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O

CAS: 2867-47-2 Molecular Formula: C₈H₁₅NO₂ Molecular Weight (g/mol): 157.21 MDL Number: MFCD00008589 InChI Key: JKNCOURZONDCGV-UHFFFAOYSA-N Synonym: n,n-dimethylethanolamine methacrylate, 2-dimethylaminoethyl methacrylate, n,n-dimethylaminoethyl methacrylate, 2-n,n-dimethylamino ethyl methacrylate, 2-propenoic acid, 2-methyl-, 2-dimethylamino ethyl ester, usaf rh-3, dmaema, ageflex fm-1, dimethylaminoethyl methacrylate, 2-dimethylamino ethyl methacrylate PubChem CID: 17869 IUPAC Name: 2-(dimethylamino)ethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCN(C)C