CAS RN: 85959-19-9
CAS Name: 1-(2-ethylhexylamino)-4-(3-methylbutylamino)anthracene-9,10-dione
OPENEYE Name: 1-(2-ethylhexylamino)-4-(isopentylamino)anthracene-9,10-dione
IUPAC Name: 1-(2-ethylhexylamino)-4-(3-methylbutylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(2-ethylhexylamino)-4-(3-methylbutylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C27H36N2O2
MOLECULAR WEIGHT: 420.58694
SMILES: CCCCC(CC)CNC1=C2C(=C(C=C1)NCCC(C)C)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 85946-14-1
CAS Name: 1-amino-4-hydroxy-2-[2-(3-methylphenoxy)ethoxy]anthracene-9,10-dione
OPENEYE Name: 1-amino-4-hydroxy-2-[2-(3-methylphenoxy)ethoxy]anthracene-9,10-dione
IUPAC Name: 1-amino-4-hydroxy-2-[2-(3-methylphenoxy)ethoxy]anthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-2-[2-(3-methylphenoxy)ethoxy]-4-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C23H19NO5
MOLECULAR WEIGHT: 389.40066
SMILES: CC1=CC(=CC=C1)OCCOC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
Structure:
CAS RN: 85896-28-2
CAS Name: 2-(4-nonylphenoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
OPENEYE Name: 2,4-diallyloxy-6-(4-nonylphenoxy)-1,3,5-triazine
IUPAC Name: 2-(4-nonylphenoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SYSTEMATIC NAME: 2-(4-nonylphenoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
MOLECULAR FORMULA: C24H33N3O3
MOLECULAR WEIGHT: 411.53712
SMILES: CCCCCCCCCC1=CC=C(C=C1)OC2=NC(=NC(=N2)OCC=C)OCC=C
Structure:
CAS RN: 85896-26-0
CAS Name: 2-decoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
OPENEYE Name: 2,4-diallyloxy-6-decoxy-1,3,5-triazine
IUPAC Name: 2-decoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SYSTEMATIC NAME: 2-decoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
MOLECULAR FORMULA: C19H31N3O3
MOLECULAR WEIGHT: 349.46774
SMILES: CCCCCCCCCCOC1=NC(=NC(=N1)OCC=C)OCC=C
Structure:
CAS RN: 85858-77-1
CAS Name: methanesulfonate; 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid [4-[oxo-(4-propan-2-yl-1-piperazinyl)methyl]phenyl] ester
OPENEYE Name: [4-(4-isopropylpiperazine-1-carbonyl)phenyl] tetralin-1-carboxylate; methanesulfonate
IUPAC Name: methanesulfonate; [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate
SYSTEMATIC NAME: methanesulfonate; [4-(4-propan-2-ylpiperazin-1-yl)carbonylphenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate
MOLECULAR FORMULA: C26H33N2O6S-
MOLECULAR WEIGHT: 501.61502
SMILES: CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3CCCC4=CC=CC=C34.CS(=O)(=O)[O-]
Structure:
CAS RN: 85851-62-3
CAS Name: 1-(1-azepan-1-iumyl)ethanone; methyl sulfate
OPENEYE Name: 1-(azepan-1-ium-1-yl)ethanone; methyl sulfate
IUPAC Name: 1-(azepan-1-ium-1-yl)ethanone; methyl sulfate
SYSTEMATIC NAME: 1-(azepan-1-ium-1-yl)ethanone; methyl sulfate
MOLECULAR FORMULA: C9H19NO5S
MOLECULAR WEIGHT: 253.31586
SMILES: CC(=O)[NH+]1CCCCCC1.COS(=O)(=O)[O-]
Structure:
CAS RN: 85828-84-8
CAS Name: trisodium 5,7-bis(carboxylatomethoxy)-4-oxo-3-phenyl-1-benzopyran-2-carboxylate
OPENEYE Name: trisodium 5,7-bis(carboxylatomethoxy)-4-oxo-3-phenyl-chromene-2-carboxylate
IUPAC Name: trisodium 5,7-bis(carboxylatomethoxy)-4-oxo-3-phenylchromene-2-carboxylate
SYSTEMATIC NAME: trisodium 5,7-bis(2-oxidanidyl-2-oxidanylidene-ethoxy)-4-oxidanylidene-3-phenyl-chromene-2-carboxylate
MOLECULAR FORMULA: C20H11Na3O10
MOLECULAR WEIGHT: 480.26465
SMILES: C1=CC=C(C=C1)C2=C(OC3=CC(=CC(=C3C2=O)OCC(=O)[O-])OCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 85750-32-9
CAS Name: 5-methoxy-2-[(4-methylphenyl)thio]-4-(4-morpholinyl)benzenediazonium tetrafluoroborate
OPENEYE Name: 5-methoxy-4-morpholino-2-(p-tolylsulfanyl)benzenediazonium tetrafluoroborate
IUPAC Name: 5-methoxy-2-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 5-methoxy-2-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C18H20BF4N3O2S
MOLECULAR WEIGHT: 429.239913
SMILES: [B-](F)(F)(F)F.CC1=CC=C(C=C1)SC2=CC(=C(C=C2[N+]#N)OC)N3CCOCC3
Structure:
CAS RN: 85750-31-8
CAS Name: 3-methoxy-4-(1-pyrrolidinyl)benzenediazonium hexafluorophosphate
OPENEYE Name: 3-methoxy-4-pyrrolidin-1-yl-benzenediazonium hexafluorophosphate
IUPAC Name: 3-methoxy-4-pyrrolidin-1-ylbenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 3-methoxy-4-pyrrolidin-1-yl-benzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C11H14F6N3OP
MOLECULAR WEIGHT: 349.21254
SMILES: COC1=C(C=CC(=C1)[N+]#N)N2CCCC2.F[P-](F)(F)(F)(F)F
Structure:
CAS RN: 85750-21-6
CAS Name: 3-[N-(phenylmethyl)-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]anilino]propanenitrile chloride
OPENEYE Name: 3-[N-benzyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propanenitrile chloride
IUPAC Name: 3-[N-benzyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile chloride
SYSTEMATIC NAME: 3-[(phenylmethyl)-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile chloride
MOLECULAR FORMULA: C29H30ClN3
MOLECULAR WEIGHT: 456.0216
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(CCC#N)CC4=CC=CC=C4)C)C.[Cl-]
Structure:
CAS RN: 85720-90-7
CAS Name: (3Z)-3-[(4-amino-5-methoxy-2-methylphenyl)hydrazinylidene]-6-oxo-5-sulfo-1-cyclohexa-1,4-dienecarboxylic acid
OPENEYE Name: (3Z)-3-[(4-amino-5-methoxy-2-methyl-phenyl)hydrazono]-6-oxo-5-sulfo-cyclohexa-1,4-diene-1-carboxylic acid
IUPAC Name: (3Z)-3-[(4-amino-5-methoxy-2-methylphenyl)hydrazinylidene]-6-oxo-5-sulfocyclohexa-1,4-diene-1-carboxylic acid
SYSTEMATIC NAME: (3Z)-3-[(4-azanyl-5-methoxy-2-methyl-phenyl)hydrazinylidene]-6-oxidanylidene-5-sulfo-cyclohexa-1,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C15H15N3O7S
MOLECULAR WEIGHT: 381.3605
SMILES: CC1=CC(=C(C=C1N/N=C\2/C=C(C(=O)C(=C2)S(=O)(=O)O)C(=O)O)OC)N
Structure:
CAS RN: 85720-86-1
CAS Name: (3E)-3-[(4-amino-5-methoxy-2-methylphenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
OPENEYE Name: (3E)-3-[(4-amino-5-methoxy-2-methyl-phenyl)hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
IUPAC Name: (3E)-3-[(4-amino-5-methoxy-2-methylphenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
SYSTEMATIC NAME: (3E)-3-[(4-azanyl-5-methoxy-2-methyl-phenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C15H15N3O4
MOLECULAR WEIGHT: 301.2973
SMILES: CC1=CC(=C(C=C1N/N=C/2\C=CC(=O)C(=C2)C(=O)O)OC)N
Structure:
CAS RN: 85720-85-0
CAS Name: 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid phenyl ester
OPENEYE Name: phenyl 5-hydroxytetralin-6-carboxylate
IUPAC Name: phenyl 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SYSTEMATIC NAME: phenyl 1-oxidanyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: C1CCC2=C(C1)C=CC(=C2O)C(=O)OC3=CC=CC=C3
Structure:
CAS RN: 85720-77-0
CAS Name: 1-(4-decoxyanilino)anthracene-9,10-dione
OPENEYE Name: 1-(4-decoxyanilino)anthracene-9,10-dione
IUPAC Name: 1-(4-decoxyanilino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-[(4-decoxyphenyl)amino]anthracene-9,10-dione
MOLECULAR FORMULA: C30H33NO3
MOLECULAR WEIGHT: 455.58792
SMILES: CCCCCCCCCCOC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 85720-76-9
CAS Name: 1-(4-phenoxyanilino)anthracene-9,10-dione
OPENEYE Name: 1-(4-phenoxyanilino)anthracene-9,10-dione
IUPAC Name: 1-(4-phenoxyanilino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-[(4-phenoxyphenyl)amino]anthracene-9,10-dione
MOLECULAR FORMULA: C26H17NO3
MOLECULAR WEIGHT: 391.41808
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O
Structure:
CAS RN: 85702-53-0
CAS Name: strontium 4-(1-anilino-1,3-dioxobutan-2-yl)azo-3-nitrobenzenesulfonate
OPENEYE Name: strontium 3-nitro-4-[2-oxo-1-(phenylcarbamoyl)propyl]azo-benzenesulfonate
IUPAC Name: strontium 4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzenesulfonate
SYSTEMATIC NAME: strontium 4-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]-3-nitro-benzenesulfonate
MOLECULAR FORMULA: C16H13N4O7SSr+
MOLECULAR WEIGHT: 492.98202
SMILES: CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Sr+2]
Structure:
CAS RN: 85665-80-1
CAS Name: 2-methylpropanoic acid [(E)-4-phenylbut-3-en-2-yl] ester
OPENEYE Name: [(E)-1-methyl-3-phenyl-allyl] 2-methylpropanoate
IUPAC Name: [(E)-4-phenylbut-3-en-2-yl] 2-methylpropanoate
SYSTEMATIC NAME: [(E)-4-phenylbut-3-en-2-yl] 2-methylpropanoate
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CC(C)C(=O)OC(C)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 85665-78-7
CAS Name: 2-methylbutanoic acid (2-methyl-4-oxo-3-pyranyl) ester
OPENEYE Name: (2-methyl-4-oxo-pyran-3-yl) 2-methylbutanoate
IUPAC Name: (2-methyl-4-oxopyran-3-yl) 2-methylbutanoate
SYSTEMATIC NAME: (2-methyl-4-oxidanylidene-pyran-3-yl) 2-methylbutanoate
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: CCC(C)C(=O)OC1=C(OC=CC1=O)C
Structure:
CAS RN: 85614-50-2
CAS Name: 1-(1-isobenzofuranyl)-1-butanone
OPENEYE Name: 1-isobenzofuran-1-ylbutan-1-one
IUPAC Name: 1-(2-benzofuran-1-yl)butan-1-one
SYSTEMATIC NAME: 1-(2-benzofuran-1-yl)butan-1-one
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CCCC(=O)C1=C2C=CC=CC2=CO1
Structure:
CAS RN: 85557-19-3
CAS Name: N-octyl-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
OPENEYE Name: 4,6-diallyloxy-N-octyl-1,3,5-triazin-2-amine
IUPAC Name: N-octyl-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-octyl-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C17H28N4O2
MOLECULAR WEIGHT: 320.42982
SMILES: CCCCCCCCNC1=NC(=NC(=N1)OCC=C)OCC=C
Structure:
CAS RN: 85536-84-1
CAS Name: carbonic acid ethyl [2-hydroxy-3-(2-methoxyphenoxy)propyl] ester
OPENEYE Name: ethyl [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbonate
IUPAC Name: ethyl [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbonate
SYSTEMATIC NAME: ethyl [3-(2-methoxyphenoxy)-2-oxidanyl-propyl] carbonate
MOLECULAR FORMULA: C13H18O6
MOLECULAR WEIGHT: 270.27842
SMILES: CCOC(=O)OCC(COC1=CC=CC=C1OC)O
Structure:
CAS RN: 85508-25-4
CAS Name: butanoic acid (3-hydroxy-2,2-dimethylhexyl) ester
OPENEYE Name: (3-hydroxy-2,2-dimethyl-hexyl) butanoate
IUPAC Name: (3-hydroxy-2,2-dimethylhexyl) butanoate
SYSTEMATIC NAME: (2,2-dimethyl-3-oxidanyl-hexyl) butanoate
MOLECULAR FORMULA: C12H24O3
MOLECULAR WEIGHT: 216.31716
SMILES: CCCC(C(C)(C)COC(=O)CCC)O
Structure:
CAS RN: 85508-09-4
CAS Name: 2-methylpropanoic acid 3-oxobutan-2-yl ester
OPENEYE Name: (1-methyl-2-oxo-propyl) 2-methylpropanoate
IUPAC Name: 3-oxobutan-2-yl 2-methylpropanoate
SYSTEMATIC NAME: 3-oxidanylidenebutan-2-yl 2-methylpropanoate
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: CC(C)C(=O)OC(C)C(=O)C
Structure:
CAS RN: 85455-53-4
CAS Name: 1-(butylamino)-4-(2-ethylhexylamino)anthracene-9,10-dione
OPENEYE Name: 1-(butylamino)-4-(2-ethylhexylamino)anthracene-9,10-dione
IUPAC Name: 1-(butylamino)-4-(2-ethylhexylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(butylamino)-4-(2-ethylhexylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C26H34N2O2
MOLECULAR WEIGHT: 406.56036
SMILES: CCCCC(CC)CNC1=C2C(=C(C=C1)NCCCC)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 85455-52-3
CAS Name: 3,5-dibromo-4-[4-(diethylamino)-2-[(4-methoxy-1,4-dioxobutyl)amino]phenyl]azobenzoic acid (2-ethoxy-2-oxoethyl) ester
OPENEYE Name: (2-ethoxy-2-oxo-ethyl) 3,5-dibromo-4-[4-(diethylamino)-2-[(4-methoxy-4-oxo-butanoyl)amino]phenyl]azo-benzoate
IUPAC Name: (2-ethoxy-2-oxoethyl) 3,5-dibromo-4-[[4-(diethylamino)-2-[(4-methoxy-4-oxobutanoyl)amino]phenyl]diazenyl]benzoate
SYSTEMATIC NAME: (2-ethoxy-2-oxidanylidene-ethyl) 3,5-bis(bromanyl)-4-[[4-(diethylamino)-2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]phenyl]diazenyl]benzoate
MOLECULAR FORMULA: C26H30Br2N4O7
MOLECULAR WEIGHT: 670.347
SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)C(=O)OCC(=O)OCC)Br)NC(=O)CCC(=O)OC
Structure:
CAS RN: 85409-60-5
CAS Name: 1,4-bis(3-methylbutylamino)anthracene-9,10-dione
OPENEYE Name: 1,4-bis(isopentylamino)anthracene-9,10-dione
IUPAC Name: 1,4-bis(3-methylbutylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(3-methylbutylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C24H30N2O2
MOLECULAR WEIGHT: 378.5072
SMILES: CC(C)CCNC1=C2C(=C(C=C1)NCCC(C)C)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 85409-57-0
CAS Name: 1-(butylamino)-4-(3-methylbutylamino)anthracene-9,10-dione
OPENEYE Name: 1-(butylamino)-4-(isopentylamino)anthracene-9,10-dione
IUPAC Name: 1-(butylamino)-4-(3-methylbutylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(butylamino)-4-(3-methylbutylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C23H28N2O2
MOLECULAR WEIGHT: 364.48062
SMILES: CCCCNC1=C2C(=C(C=C1)NCCC(C)C)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 85392-17-2
CAS Name: 2-[N-ethyl-3-methyl-4-[(5-nitro-2,1-benzothiazol-3-yl)azo]anilino]ethanol
OPENEYE Name: 2-[N-ethyl-3-methyl-4-[(5-nitro-2,1-benzothiazol-3-yl)azo]anilino]ethanol
IUPAC Name: 2-[N-ethyl-3-methyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]ethanol
SYSTEMATIC NAME: 2-[ethyl-[3-methyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl]amino]ethanol
MOLECULAR FORMULA: C18H19N5O3S
MOLECULAR WEIGHT: 385.44016
SMILES: CCN(CCO)C1=CC(=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-])C
Structure:
CAS RN: 85392-16-1
CAS Name: 1-amino-4-hydroxy-2-(4-hydroxybutan-2-yloxy)anthracene-9,10-dione
OPENEYE Name: 1-amino-4-hydroxy-2-(3-hydroxy-1-methyl-propoxy)anthracene-9,10-dione
IUPAC Name: 1-amino-4-hydroxy-2-(4-hydroxybutan-2-yloxy)anthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-4-oxidanyl-2-(4-oxidanylbutan-2-yloxy)anthracene-9,10-dione
MOLECULAR FORMULA: C18H17NO5
MOLECULAR WEIGHT: 327.33128
SMILES: CC(CCO)OC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N
Structure:
CAS RN: 85391-95-3
CAS Name: 3-hydroxy-2,2-dimethylpropanoic acid [2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] ester
OPENEYE Name: [2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 3-hydroxy-2,2-dimethyl-propanoate
IUPAC Name: [2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 3-hydroxy-2,2-dimethylpropanoate
SYSTEMATIC NAME: [2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 2,2-dimethyl-3-oxidanyl-propanoate
MOLECULAR FORMULA: C14H26O5
MOLECULAR WEIGHT: 274.35324
SMILES: CC(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)CO
Structure:
CAS RN: 85376-06-3
CAS Name: dodecanoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester
OPENEYE Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] dodecanoate
IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] dodecanoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] dodecanoate
MOLECULAR FORMULA: C17H34O4
MOLECULAR WEIGHT: 302.44946
SMILES: CCCCCCCCCCCC(=O)OCC(C)(CO)CO
Structure:
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