CAS RN: 97558-87-7
CAS Name: 1,4-diazabicyclo[2.2.2]octane; 2-ethylhexanoic acid
OPENEYE Name: 1,4-diazabicyclo[2.2.2]octane; 2-ethylhexanoic acid
IUPAC Name: 1,4-diazabicyclo[2.2.2]octane; 2-ethylhexanoic acid
SYSTEMATIC NAME: 1,4-diazabicyclo[2.2.2]octane; 2-ethylhexanoic acid
MOLECULAR FORMULA: C14H28N2O2
MOLECULAR WEIGHT: 256.38432
SMILES: CCCCC(CC)C(=O)O.C1CN2CCN1CC2
Structure:
CAS RN: 97553-92-9
CAS Name: N',N'-dimethylpropane-1,3-diamine; 12-hydroxyoctadecanoic acid
OPENEYE Name: N',N'-dimethylpropane-1,3-diamine; 12-hydroxyoctadecanoic acid
IUPAC Name: N',N'-dimethylpropane-1,3-diamine; 12-hydroxyoctadecanoic acid
SYSTEMATIC NAME: N',N'-dimethylpropane-1,3-diamine; 12-oxidanyloctadecanoic acid
MOLECULAR FORMULA: C23H50N2O3
MOLECULAR WEIGHT: 402.6547
SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)O.CN(C)CCCN
Structure:
CAS RN: 97457-26-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H33NO9
MOLECULAR WEIGHT: 491.53082
SMILES: C[C@H]1CC[C@@]2([C@]3(C[C@@]4([C@]5([C@]([C@H]([C@@]3([C@]5([C@]2(C1=O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
Structure:
CAS RN: 97457-25-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H39NO9
MOLECULAR WEIGHT: 521.59986
SMILES: CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6C)(C(C)C)O)C)OC)C)O
Structure:
CAS RN: 97451-40-6
CAS Name: (2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-2-amino-5-[[(1R)-2-[(2-ethoxy-2-oxo-ethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoate
IUPAC Name: ethyl (2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate
SYSTEMATIC NAME: ethyl (2S)-2-azanyl-5-[[(2R)-1-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C14H25N3O6S
MOLECULAR WEIGHT: 363.4298
SMILES: CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)OCC)N
Structure:
CAS RN: 97399-96-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H40O8
MOLECULAR WEIGHT: 504.6124
SMILES: CC1C(C(CC(O1)OC2CCC3(C4CCC5=COC6(C5C(CO6)OC(=O)C4CC=C3C2)C)C)OC)O
Structure:
CAS RN: 97387-24-1
CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-6-benzo[a]pyrenyl)oxy]-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-(3-oxidanylbenzo[a]pyren-6-yl)oxy-oxane-2-carboxylic acid
MOLECULAR FORMULA: C26H20O8
MOLECULAR WEIGHT: 460.4322
SMILES: C1=CC=C2C(=C1)C3=C4C(=C2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=CC6=C(C=CC(=C64)C=C3)O
Structure:
CAS RN: 72176-02-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O5
MOLECULAR WEIGHT: 372.45472
SMILES: CC(C)C1CCC23C1(C(C(=O)C2(C45C(C3)C(=C)C(=O)C4O5)C)OC(=O)C)C
Structure:
CAS RN: 97315-00-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O5
MOLECULAR WEIGHT: 372.45472
SMILES: CC(C)C1CCC23C1(C(C(=O)C2(C45C(C3)C(=C)C(=O)C4O5)C)OC(=O)C)C
Structure:
CAS RN: 97247-67-1
CAS Name: N-(2-chlorophenyl)-2,2-dimethyl-N-(3-pyridinylmethyl)propanamide
OPENEYE Name: N-(2-chlorophenyl)-2,2-dimethyl-N-(3-pyridylmethyl)propanamide
IUPAC Name: N-(2-chlorophenyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
MOLECULAR FORMULA: C17H19ClN2O
MOLECULAR WEIGHT: 302.79856
SMILES: CC(C)(C)C(=O)N(CC1=CN=CC=C1)C2=CC=CC=C2Cl
Structure:
CAS RN: 140460-98-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H15NO3
MOLECULAR WEIGHT: 329.3487
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=N3)[C@@H]6[C@@H](O6)[C@@H]([C@H]5O)O
Structure:
CAS RN: 97169-68-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H15NO3
MOLECULAR WEIGHT: 329.3487
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=N3)[C@@H]6[C@@H](O6)[C@@H]([C@H]5O)O
Structure:
CAS RN: 76659-92-2
CAS Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
OPENEYE Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxy-benzene
IUPAC Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
SYSTEMATIC NAME: 1,4-bis(chloranyl)-2-[methoxy(phenyl)phosphoryl]oxy-benzene
MOLECULAR FORMULA: C13H11Cl2O3P
MOLECULAR WEIGHT: 317.104401
SMILES: COP(=O)(C1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)Cl
Structure:
CAS RN: 97151-13-8
CAS Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
OPENEYE Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxy-benzene
IUPAC Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
SYSTEMATIC NAME: 1,4-bis(chloranyl)-2-[methoxy(phenyl)phosphoryl]oxy-benzene
MOLECULAR FORMULA: C13H11Cl2O3P
MOLECULAR WEIGHT: 317.104401
SMILES: COP(=O)(C1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)Cl
Structure:
CAS RN: 97232-57-0
CAS Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
OPENEYE Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxy-benzene
IUPAC Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
SYSTEMATIC NAME: 1,4-bis(chloranyl)-2-[methoxy(phenyl)phosphoryl]oxy-benzene
MOLECULAR FORMULA: C13H11Cl2O3P
MOLECULAR WEIGHT: 317.104401
SMILES: COP(=O)(C1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)Cl
Structure:
CAS RN: 97232-58-1
CAS Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
OPENEYE Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxy-benzene
IUPAC Name: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
SYSTEMATIC NAME: 1,4-bis(chloranyl)-2-[methoxy(phenyl)phosphoryl]oxy-benzene
MOLECULAR FORMULA: C13H11Cl2O3P
MOLECULAR WEIGHT: 317.104401
SMILES: COP(=O)(C1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)Cl
Structure:
CAS RN: 226090-63-7
CAS Name: 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoic acid 5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-1-oxopropoxy]pentyl ester
OPENEYE Name: 5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
IUPAC Name: 5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
SYSTEMATIC NAME: 5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
MOLECULAR FORMULA: C53H72N2O12+2
MOLECULAR WEIGHT: 929.14498
SMILES: C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C
Structure:
CAS RN: 96946-41-7
CAS Name: 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoic acid 5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-1-oxopropoxy]pentyl ester
OPENEYE Name: 5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
IUPAC Name: 5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
SYSTEMATIC NAME: 5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
MOLECULAR FORMULA: C53H72N2O12+2
MOLECULAR WEIGHT: 929.14498
SMILES: C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C
Structure:
CAS RN: 96920-51-3
CAS Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2R,3S,4R,5R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C24H28N10O19P4
MOLECULAR WEIGHT: 884.429764
SMILES: C1=CN2C=NC3=C(C2=N1)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CN8C7=NC=C8)O)O)O)O
Structure:
CAS RN: 96848-67-8
CAS Name: 5-[4-(2,4,7-triamino-6-pteridinyl)phenoxy]pentanoic acid
OPENEYE Name: 5-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]pentanoic acid
IUPAC Name: 5-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]pentanoic acid
SYSTEMATIC NAME: 5-[4-[2,4,7-tris(azanyl)pteridin-6-yl]phenoxy]pentanoic acid
MOLECULAR FORMULA: C17H19N7O3
MOLECULAR WEIGHT: 369.37786
SMILES: C1=CC(=CC=C1C2=NC3=C(N=C2N)N=C(N=C3N)N)OCCCCC(=O)O
Structure:
CAS RN: 96591-23-0
CAS Name: ammonium; sodium; 1,1'-biphenyl; 1,2-diphenylbenzene; formaldehyde; 2-(2-oxidophenyl)sulfonylphenolate
OPENEYE Name: ammonium; sodium; biphenyl; 1,2-diphenylbenzene; formaldehyde; 2-(2-oxidophenyl)sulfonylphenolate
IUPAC Name: azanium; sodium; 1,1'-biphenyl; 1,2-diphenylbenzene; formaldehyde; 2-(2-oxidophenyl)sulfonylphenolate
SYSTEMATIC NAME: azanium; sodium; 1,1'-biphenyl; 1,2-diphenylbenzene; methanal; 2-(2-oxidanidylphenyl)sulfonylphenolate
MOLECULAR FORMULA: C43H38NNaO5S
MOLECULAR WEIGHT: 703.82029
SMILES: C=O.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3.C1=CC=C(C(=C1)[O-])S(=O)(=O)C2=CC=CC=C2[O-].[NH4+].[Na+]
Structure:
CAS RN: 96507-86-7
CAS Name: benzene-1,2-dicarboxylic acid bis(9-methyldecyl) ester
OPENEYE Name: bis(9-methyldecyl) benzene-1,2-dicarboxylate
IUPAC Name: bis(9-methyldecyl) benzene-1,2-dicarboxylate
SYSTEMATIC NAME: bis(9-methyldecyl) benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C30H50O4
MOLECULAR WEIGHT: 474.7156
SMILES: CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C
Structure:
CAS RN: 96446-47-8
CAS Name: butane-1,4-diol; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; hexanedioic acid
OPENEYE Name: adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene
IUPAC Name: butane-1,4-diol; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; hexanedioic acid
SYSTEMATIC NAME: butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; hexanedioic acid
MOLECULAR FORMULA: C28H32N4O10
MOLECULAR WEIGHT: 584.57448
SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO
Structure:
CAS RN: 96446-41-2
CAS Name: 1-butanol; formaldehyde; phenol
OPENEYE Name: butan-1-ol; formaldehyde; phenol
IUPAC Name: butan-1-ol; formaldehyde; phenol
SYSTEMATIC NAME: butan-1-ol; methanal; phenol
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CCCCO.C=O.C1=CC=C(C=C1)O
Structure:
CAS RN: 96426-15-2
CAS Name: 4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxy-1-oxopropoxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
OPENEYE Name: 4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
IUPAC Name: 4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(3S,7S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C35H54O8
MOLECULAR WEIGHT: 602.79846
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)OC(=O)CCC(=O)O)C
Structure:
CAS RN: 96422-39-8
CAS Name: 2-methyl-2-(2-triphenylenylmethylamino)propane-1,3-diol hydrochloride
OPENEYE Name: 2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol hydrochloride
IUPAC Name: 2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol hydrochloride
SYSTEMATIC NAME: 2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol hydrochloride
MOLECULAR FORMULA: C23H24ClNO2
MOLECULAR WEIGHT: 381.89516
SMILES: CC(CO)(CO)NCC1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42.Cl
Structure:
CAS RN: 96403-65-5
CAS Name: 2-(2-anthracenylmethylamino)-2-methylpropane-1,3-diol hydrochloride
OPENEYE Name: 2-(2-anthrylmethylamino)-2-methyl-propane-1,3-diol hydrochloride
IUPAC Name: 2-(anthracen-2-ylmethylamino)-2-methylpropane-1,3-diol hydrochloride
SYSTEMATIC NAME: 2-(anthracen-2-ylmethylamino)-2-methyl-propane-1,3-diol hydrochloride
MOLECULAR FORMULA: C19H22ClNO2
MOLECULAR WEIGHT: 331.83648
SMILES: CC(CO)(CO)NCC1=CC2=CC3=CC=CC=C3C=C2C=C1.Cl
Structure:
CAS RN: 96328-91-5
CAS Name: butane-1,4-diol; carbonic dichloride; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; 4-[[4-hydroxy-2,6-di(propan-2-yl)phenyl]iminomethylideneamino]-3,5-di(propan-2-yl)phenol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-oxepanone
OPENEYE Name: butane-1,4-diol; carbonyl dichloride; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; 4-[(4-hydroxy-2,6-diisopropyl-phenyl)iminomethyleneamino]-3,5-diisopropyl-phenol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one
IUPAC Name: butane-1,4-diol; carbonyl dichloride; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; 4-[[4-hydroxy-2,6-di(propan-2-yl)phenyl]iminomethylideneamino]-3,5-di(propan-2-yl)phenol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one
SYSTEMATIC NAME: butane-1,4-diol; carbonyl dichloride; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one; 4-[[4-oxidanyl-2,6-di(propan-2-yl)phenyl]iminomethylideneamino]-3,5-di(propan-2-yl)phenol
MOLECULAR FORMULA: C63H92Cl2N4O14
MOLECULAR WEIGHT: 1200.32898
SMILES: CCC(CO)(CO)CO.CC(C)C1=CC(=CC(=C1N=C=NC2=C(C=C(C=C2C(C)C)O)C(C)C)C(C)C)O.C1CCC(=O)OCC1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCCO)CCO.C(CCO)CO.C(=O)(Cl)Cl
Structure:
CAS RN: 96298-76-9
CAS Name: 1,2-bis(ethenyl)benzene; 2-methyl-2-propenoic acid [4-[(2-methyl-1-oxoprop-2-enoxy)methyl]-1-naphthalenyl]methyl ester
OPENEYE Name: 1,2-divinylbenzene; [4-(2-methylprop-2-enoyloxymethyl)-1-naphthyl]methyl 2-methylprop-2-enoate
IUPAC Name: 1,2-bis(ethenyl)benzene; [4-(2-methylprop-2-enoyloxymethyl)naphthalen-1-yl]methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; [4-(2-methylprop-2-enoyloxymethyl)naphthalen-1-yl]methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C30H30O4
MOLECULAR WEIGHT: 454.5568
SMILES: CC(=C)C(=O)OCC1=CC=C(C2=CC=CC=C12)COC(=O)C(=C)C.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 96152-42-0
CAS Name: hydrogen peroxide; phenol
OPENEYE Name: hydrogen peroxide; phenol
IUPAC Name: hydrogen peroxide; phenol
SYSTEMATIC NAME: hydrogen peroxide; phenol
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: C1=CC=C(C=C1)O.OO
Structure:
CAS RN: 96143-97-4
CAS Name: dipotassium 5-amino-2-sulfonatooxybenzoate
OPENEYE Name: dipotassium 5-amino-2-sulfonatooxy-benzoate
IUPAC Name: dipotassium 5-amino-2-sulfonatooxybenzoate
SYSTEMATIC NAME: dipotassium 5-azanyl-2-sulfonatooxy-benzoate
MOLECULAR FORMULA: C7H5K2NO6S
MOLECULAR WEIGHT: 309.3793
SMILES: C1=CC(=C(C=C1N)C(=O)[O-])OS(=O)(=O)[O-].[K+].[K+]
Structure:
CAS RN: 96018-28-9
CAS Name: 3-[3-(4-chlorophenyl)-5-isothiazolyl]-1-methoxy-1-methylurea
OPENEYE Name: 3-[3-(4-chlorophenyl)isothiazol-5-yl]-1-methoxy-1-methyl-urea
IUPAC Name: 3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea
SYSTEMATIC NAME: 3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methyl-urea
MOLECULAR FORMULA: C12H12ClN3O2S
MOLECULAR WEIGHT: 297.76058
SMILES: CN(C(=O)NC1=CC(=NS1)C2=CC=C(C=C2)Cl)OC
Structure:
CAS RN: 96018-24-5
CAS Name: 1-ethyl-3-[3-(4-fluorophenyl)-5-isothiazolyl]-1-methylurea
OPENEYE Name: 1-ethyl-3-[3-(4-fluorophenyl)isothiazol-5-yl]-1-methyl-urea
IUPAC Name: 1-ethyl-3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methylurea
SYSTEMATIC NAME: 1-ethyl-3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methyl-urea
MOLECULAR FORMULA: C13H14FN3OS
MOLECULAR WEIGHT: 279.333163
SMILES: CCN(C)C(=O)NC1=CC(=NS1)C2=CC=C(C=C2)F
Structure:
CAS RN: 96018-10-9
CAS Name: 1-butan-2-yl-3-[3-(4-chlorophenyl)-5-isothiazolyl]-1-methylurea hydrochloride
OPENEYE Name: 3-[3-(4-chlorophenyl)isothiazol-5-yl]-1-methyl-1-sec-butyl-urea hydrochloride
IUPAC Name: 1-butan-2-yl-3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methylurea hydrochloride
SYSTEMATIC NAME: 1-butan-2-yl-3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methyl-urea hydrochloride
MOLECULAR FORMULA: C15H19Cl2N3OS
MOLECULAR WEIGHT: 360.30186
SMILES: CCC(C)N(C)C(=O)NC1=CC(=NS1)C2=CC=C(C=C2)Cl.Cl
Structure:
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