CAS RN: 69029-23-8
CAS Name: 4-oxo-4-(1-oxododecoxy)butanoic acid; 2-propen-1-ol; styrene
OPENEYE Name: 4-dodecanoyloxy-4-oxo-butanoic acid; prop-2-en-1-ol; styrene
IUPAC Name: 4-dodecanoyloxy-4-oxobutanoic acid; prop-2-en-1-ol; styrene
SYSTEMATIC NAME: 4-dodecanoyloxy-4-oxidanylidene-butanoic acid; ethenylbenzene; prop-2-en-1-ol
MOLECULAR FORMULA: C27H42O6
MOLECULAR WEIGHT: 462.61878
SMILES: CCCCCCCCCCCC(=O)OC(=O)CCC(=O)O.C=CCO.C=CC1=CC=CC=C1
CAS RN: 113060-10-9
CAS Name: acetic acid; 3-tetradecoxy-1-propanamine
OPENEYE Name: acetic acid; 3-tetradecoxypropan-1-amine
IUPAC Name: acetic acid; 3-tetradecoxypropan-1-amine
SYSTEMATIC NAME: ethanoic acid; 3-tetradecoxypropan-1-amine
MOLECULAR FORMULA: C19H41NO3
MOLECULAR WEIGHT: 331.53374
SMILES: CCCCCCCCCCCCCCOCCCN.CC(=O)O
CAS RN: 84878-16-0
CAS Name: disodium (3Z)-5-amino-3-[[4-[[4-[(2E)-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]thio]phenyl]hydrazinylidene]-6-(4-nitrophenyl)azo-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: disodium (3Z)-5-amino-3-[[4-[4-[(2E)-2-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]sulfanylphenyl]hydrazono]-6-(4-nitrophenyl)azo-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: disodium (3Z)-5-amino-3-[[4-[4-[(2E)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium (6Z)-4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-[[4-[4-[(2E)-2-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C34H22N8Na2O11S3
MOLECULAR WEIGHT: 860.76002
SMILES: C1=CC(=CC=C1N/N=C/2\C=CC(=O)C=C2O)SC3=CC=C(C=C3)N/N=C/4\C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=CC=C(C=C6)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 97337-96-7
CAS Name: (3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4-piperidinecarbonyl chloride
OPENEYE Name: (3R,4S)-3-methyl-4-phenyl-1-(p-tolylsulfonyl)piperidine-4-carbonyl chloride
IUPAC Name: (3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonyl chloride
SYSTEMATIC NAME: (3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-piperidine-4-carbonyl chloride
MOLECULAR FORMULA: C20H22ClNO3S
MOLECULAR WEIGHT: 391.91158
SMILES: C[C@H]1CN(CC[C@]1(C2=CC=CC=C2)C(=O)Cl)S(=O)(=O)C3=CC=C(C=C3)C
CAS RN: 51833-34-2
CAS Name: thallium(3+) phosphate
OPENEYE Name: thallium(3+) phosphate
IUPAC Name: thallium(3+) phosphate
SYSTEMATIC NAME: thallium(3+) phosphate
MOLECULAR FORMULA: O4PTl
MOLECULAR WEIGHT: 299.354661
SMILES: [O-]P(=O)([O-])[O-].[Tl+3]
CAS RN: 55953-80-5
CAS Name: bis(hydroxymethyl)phosphinomethanol chloride
OPENEYE Name: bis(hydroxymethyl)phosphanylmethanol chloride
IUPAC Name: bis(hydroxymethyl)phosphanylmethanol chloride
SYSTEMATIC NAME: bis(hydroxymethyl)phosphanylmethanol chloride
MOLECULAR FORMULA: C3H9ClO3P-
MOLECULAR WEIGHT: 159.528521
SMILES: C(O)P(CO)CO.[Cl-]
CAS RN: 83860-29-1
CAS Name: bis[(4-methylphenyl)imino]ammonium chloride
OPENEYE Name: bis(p-tolylimino)ammonium chloride
IUPAC Name: bis[(4-methylphenyl)imino]azanium chloride
SYSTEMATIC NAME: bis[(4-methylphenyl)imino]azanium chloride
MOLECULAR FORMULA: C14H14ClN3
MOLECULAR WEIGHT: 259.73406
SMILES: CC1=CC=C(C=C1)N=[N+]=NC2=CC=C(C=C2)C.[Cl-]
CAS RN: 72347-89-8
CAS Name: octadecanoic acid [3-[3,3-bis(1-oxooctadecoxy)propoxy]-1-(1-oxooctadecoxy)propyl] ester
OPENEYE Name: [3-[3,3-di(octadecanoyloxy)propoxy]-1-octadecanoyloxy-propyl] octadecanoate
IUPAC Name: [3-[3,3-di(octadecanoyloxy)propoxy]-1-octadecanoyloxypropyl] octadecanoate
SYSTEMATIC NAME: [3-[3,3-di(octadecanoyloxy)propoxy]-1-octadecanoyloxy-propyl] octadecanoate
MOLECULAR FORMULA: C78H150O9
MOLECULAR WEIGHT: 1232.0202
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(CCOCCC(OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
CAS RN: 95873-60-2
CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [dibutyl-[(9Z,12Z,15Z)-1-oxooctadeca-9,12,15-trienoxy]stannyl] ester
OPENEYE Name: [dibutyl-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-stannyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
IUPAC Name: [dibutyl-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxystannyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SYSTEMATIC NAME: [dibutyl-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-stannyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
MOLECULAR FORMULA: C44H76O4Sn
MOLECULAR WEIGHT: 787.78184
SMILES: CCCC[Sn](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CCCC
CAS RN: 19742-05-3
CAS Name: 2-[(2R,6S)-6-(1-hydroxypropyl)-2-piperidinyl]acetic acid
OPENEYE Name: 2-[(2R,6S)-6-(1-hydroxypropyl)-2-piperidyl]acetic acid
IUPAC Name: 2-[(2R,6S)-6-(1-hydroxypropyl)piperidin-2-yl]acetic acid
SYSTEMATIC NAME: 2-[(2R,6S)-6-(1-oxidanylpropyl)piperidin-2-yl]ethanoic acid
MOLECULAR FORMULA: C10H19NO3
MOLECULAR WEIGHT: 201.26276
SMILES: CCC([C@@H]1CCC[C@@H](N1)CC(=O)O)O
CAS RN: 71002-39-6
CAS Name: 2-methyloxirane; phosphoric acid; 4,5,6,7-tetrachloroisobenzofuran-1,3-dione
OPENEYE Name: 2-methyloxirane; phosphoric acid; 4,5,6,7-tetrachloroisobenzofuran-1,3-dione
IUPAC Name: 2-methyloxirane; phosphoric acid; 4,5,6,7-tetrachloro-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 2-methyloxirane; phosphoric acid; 4,5,6,7-tetrakis(chloranyl)-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C11H9Cl4O8P
MOLECULAR WEIGHT: 441.970121
SMILES: CC1CO1.C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O.OP(=O)(O)O
CAS RN: 93839-46-4
CAS Name: 4-(phenylmethyl)phenolate; triphenyl(propyl)phosphonium
OPENEYE Name: 4-benzylphenolate; triphenyl(propyl)phosphonium
IUPAC Name: 4-benzylphenolate; triphenyl(propyl)phosphanium
SYSTEMATIC NAME: 4-(phenylmethyl)phenolate; triphenyl(propyl)phosphanium
MOLECULAR FORMULA: C34H33OP
MOLECULAR WEIGHT: 488.598981
SMILES: CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CC2=CC=C(C=C2)[O-]
CAS RN: 12036-69-0
CAS Name: dizinc; oxygen(2-); titanium(4+)
OPENEYE Name: dizinc; oxygen(2-); titanium(4+)
IUPAC Name: dizinc; oxygen(2-); titanium(4+)
SYSTEMATIC NAME: dizinc; oxygen(2-); titanium(4+)
MOLECULAR FORMULA: O4TiZn2
MOLECULAR WEIGHT: 242.6826
SMILES: [O-2].[O-2].[O-2].[O-2].[Ti+4].[Zn+2].[Zn+2]
CAS RN: 13776-49-3
CAS Name: dizinc; oxygen(2-); titanium(4+)
OPENEYE Name: dizinc; oxygen(2-); titanium(4+)
IUPAC Name: dizinc; oxygen(2-); titanium(4+)
SYSTEMATIC NAME: dizinc; oxygen(2-); titanium(4+)
MOLECULAR FORMULA: O4TiZn2
MOLECULAR WEIGHT: 242.6826
SMILES: [O-2].[O-2].[O-2].[O-2].[Ti+4].[Zn+2].[Zn+2]
CAS RN: 72121-79-0
CAS Name: isocyanatobenzene; phosphoric acid tris(2-chloroethyl) ester
OPENEYE Name: isocyanatobenzene; tris(2-chloroethyl) phosphate
IUPAC Name: isocyanatobenzene; tris(2-chloroethyl) phosphate
SYSTEMATIC NAME: isocyanatobenzene; tris(2-chloroethyl) phosphate
MOLECULAR FORMULA: C13H17Cl3NO5P
MOLECULAR WEIGHT: 404.610541
SMILES: C1=CC=C(C=C1)N=C=O.C(CCl)OP(=O)(OCCCl)OCCCl
CAS RN: 125282-78-2
CAS Name: [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
OPENEYE Name: [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
IUPAC Name: [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
SYSTEMATIC NAME: [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
MOLECULAR FORMULA: C23H26N2O4
MOLECULAR WEIGHT: 394.46354
SMILES: C1CC(CCC1CO)CO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
CAS RN: 110175-60-5
CAS Name: formaldehyde; octadecylurea; 1,3,5-triazine-2,4,6-triamine
OPENEYE Name: formaldehyde; octadecylurea; 1,3,5-triazine-2,4,6-triamine
IUPAC Name: formaldehyde; octadecylurea; 1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: methanal; 1-octadecylurea; 1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C23H48N8O2
MOLECULAR WEIGHT: 468.67962
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)N.C=O.C1(=NC(=NC(=N1)N)N)N
CAS RN: 93805-63-1
CAS Name: sodium (3Z)-7-[[(4-amino-3-methylphenyl)-oxomethyl]amino]-3-[[4-[[[(6Z)-6-[(2-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]-2-methylphenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate
OPENEYE Name: sodium (3Z)-7-[(4-amino-3-methyl-benzoyl)amino]-3-[[4-[[(6Z)-6-[(2-carboxyphenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoyl]-2-methyl-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate
IUPAC Name: sodium (3Z)-7-[(4-amino-3-methylbenzoyl)amino]-3-[[4-[[(6Z)-6-[(2-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: sodium (3Z)-7-[(4-azanyl-3-methyl-phenyl)carbonylamino]-3-[[4-[[(6Z)-6-[(2-carboxyphenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoyl]-2-methyl-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C43H32N7NaO12S2
MOLECULAR WEIGHT: 925.87365
SMILES: CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)/C(=N/NC4=C(C=C(C=C4)C(=O)NC5=CC6=C(C=C5)C(=O)/C(=N/NC7=CC=CC=C7C(=O)O)/C(=C6)S(=O)(=O)O)C)/C(=C3)S(=O)(=O)[O-])N.[Na+]
CAS RN: 125329-00-2
CAS Name: sodium 4-ethyl-2-naphthalenesulfonate
OPENEYE Name: sodium 4-ethylnaphthalene-2-sulfonate
IUPAC Name: sodium 4-ethylnaphthalene-2-sulfonate
SYSTEMATIC NAME: sodium 4-ethylnaphthalene-2-sulfonate
MOLECULAR FORMULA: C12H11NaO3S
MOLECULAR WEIGHT: 258.26871
SMILES: CCC1=CC(=CC2=CC=CC=C21)S(=O)(=O)[O-].[Na+]
CAS RN: 84712-95-8
CAS Name: (2R)-3-(acetamidomethylthio)-2-aminopropanoic acid 2-[(4-phenyldiazenylphenyl)methylsulfonyl]ethyl ester; 2,2,2-trifluoroacetic acid
OPENEYE Name: 2-[(4-phenylazophenyl)methylsulfonyl]ethyl (2R)-3-(acetamidomethylsulfanyl)-2-amino-propanoate; 2,2,2-trifluoroacetic acid
IUPAC Name: 2-[(4-phenyldiazenylphenyl)methylsulfonyl]ethyl (2R)-3-(acetamidomethylsulfanyl)-2-aminopropanoate; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 2-[(4-phenyldiazenylphenyl)methylsulfonyl]ethyl (2R)-3-(acetamidomethylsulfanyl)-2-azanyl-propanoate; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C23H27F3N4O7S2
MOLECULAR WEIGHT: 592.60829
SMILES: CC(=O)NCSC[C@@H](C(=O)OCCS(=O)(=O)CC1=CC=C(C=C1)N=NC2=CC=CC=C2)N.C(=O)(C(F)(F)F)O
CAS RN: 73019-27-9
CAS Name: calcium (4E)-3-oxo-4-[(2-sulfonato-1-naphthalenyl)hydrazinylidene]-2-naphthalenecarboxylate
OPENEYE Name: calcium (4E)-3-oxo-4-[(2-sulfonato-1-naphthyl)hydrazono]naphthalene-2-carboxylate
IUPAC Name: calcium (4E)-3-oxo-4-[(2-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-carboxylate
SYSTEMATIC NAME: calcium (4E)-3-oxidanylidene-4-[(2-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-carboxylate
MOLECULAR FORMULA: C21H12CaN2O6S
MOLECULAR WEIGHT: 460.47278
SMILES: C1=CC=C2C(=C1)C=CC(=C2N/N=C/3\C4=CC=CC=C4C=C(C3=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]
CAS RN: 85153-36-2
CAS Name: potassium 2-(2-ethylhexoxy)ethyl hydrogen phosphate
OPENEYE Name: potassium 2-(2-ethylhexoxy)ethyl hydrogen phosphate
IUPAC Name: potassium 2-(2-ethylhexoxy)ethyl hydrogen phosphate
SYSTEMATIC NAME: potassium 2-(2-ethylhexoxy)ethyl hydrogen phosphate
MOLECULAR FORMULA: C10H22KO5P
MOLECULAR WEIGHT: 292.350741
SMILES: CCCCC(CC)COCCOP(=O)(O)[O-].[K+]
CAS RN: 115427-31-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: C1C2C=CC1C3C2C=CC3OC#N.C1=CC=C(C=C1)O
CAS RN: 119505-06-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: C1C2C=CC1C3C2C=CC3OC#N.C1=CC=C(C=C1)O
CAS RN: 204461-50-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: C1C2C=CC1C3C2C=CC3OC#N.C1=CC=C(C=C1)O
CAS RN: 68959-37-5
CAS Name: disodium (3E)-3-[(2,4-dimethylphenyl)hydrazinylidene]-7-[[(6Z)-6-[(2-methoxyphenyl)hydrazinylidene]-5-oxo-7-sulfonato-2-naphthalenyl]amino]-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium (3E)-3-[(2,4-dimethylphenyl)hydrazono]-7-[[(6Z)-6-[(2-methoxyphenyl)hydrazono]-5-oxo-7-sulfonato-2-naphthyl]amino]-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium (3E)-3-[(2,4-dimethylphenyl)hydrazinylidene]-7-[[(6Z)-6-[(2-methoxyphenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium (3E)-3-[(2,4-dimethylphenyl)hydrazinylidene]-7-[[(6Z)-6-[(2-methoxyphenyl)hydrazinylidene]-5-oxidanylidene-7-sulfonato-naphthalen-2-yl]amino]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C35H27N5Na2O9S2
MOLECULAR WEIGHT: 771.72652
SMILES: CC1=CC(=C(C=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC4=CC5=C(C=C4)C(=O)/C(=N/NC6=CC=CC=C6OC)/C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+]
CAS RN: 189283-60-1
CAS Name: isobenzofuran-1,3-dione; 7-methyloctanoic acid 2,2-bis(hydroxymethyl)butyl ester
OPENEYE Name: 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate; isobenzofuran-1,3-dione
IUPAC Name: 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate
MOLECULAR FORMULA: C23H34O7
MOLECULAR WEIGHT: 422.51186
SMILES: CCC(CO)(CO)COC(=O)CCCCCC(C)C.C1=CC=C2C(=C1)C(=O)OC2=O
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