CAS RN: 481658-94-0
CAS Name: 1-methyl-N-[(1R)-2-[methyl-(phenylmethyl)amino]-2-oxo-1-phenylethyl]-5-[[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-2-indolecarboxamide
OPENEYE Name: N-[(1R)-2-[benzyl(methyl)amino]-2-oxo-1-phenyl-ethyl]-1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxamide
IUPAC Name: N-[(1R)-2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]-1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxamide
SYSTEMATIC NAME: 1-methyl-N-[(1R)-2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]indole-2-carboxamide
MOLECULAR FORMULA: C40H33F3N4O3
MOLECULAR WEIGHT: 674.71023
SMILES: CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)C=C1C(=O)N[C@H](C5=CC=CC=C5)C(=O)N(C)CC6=CC=CC=C6
CAS RN: 84192-47-2
CAS Name: 2-aminoethanol; 8-methylnonanoic acid
OPENEYE Name: 2-aminoethanol; 8-methylnonanoic acid
IUPAC Name: 2-aminoethanol; 8-methylnonanoic acid
SYSTEMATIC NAME: 2-azanylethanol; 8-methylnonanoic acid
MOLECULAR FORMULA: C12H27NO3
MOLECULAR WEIGHT: 233.34768
SMILES: CC(C)CCCCCCC(=O)O.C(CO)N
CAS RN: 70892-87-4
CAS Name: aniline; formaldehyde; oxalic acid; phenol
OPENEYE Name: aniline; formaldehyde; oxalic acid; phenol
IUPAC Name: aniline; formaldehyde; oxalic acid; phenol
SYSTEMATIC NAME: aniline; ethanedioic acid; methanal; phenol
MOLECULAR FORMULA: C15H17NO6
MOLECULAR WEIGHT: 307.29858
SMILES: C=O.C1=CC=C(C=C1)N.C1=CC=C(C=C1)O.C(=O)(C(=O)O)O
CAS RN: 84620-34-8
CAS Name: calcium 2,4-dimethyl-1,2,4,5-tetrahydro-3-benzothiepin-6-olate
OPENEYE Name: calcium 2,4-dimethyl-1,2,4,5-tetrahydro-3-benzothiepin-6-olate
IUPAC Name: calcium 2,4-dimethyl-1,2,4,5-tetrahydro-3-benzothiepin-6-olate
SYSTEMATIC NAME: calcium 2,4-dimethyl-1,2,4,5-tetrahydro-3-benzothiepin-6-olate
MOLECULAR FORMULA: C24H30CaO2S2
MOLECULAR WEIGHT: 454.7018
SMILES: CC1CC2=C(CC(S1)C)C(=CC=C2)[O-].CC1CC2=C(CC(S1)C)C(=CC=C2)[O-].[Ca+2]
CAS RN: 73384-88-0
CAS Name: 2-methyl-2-propenoic acid [2-hydroxy-3-[2-[[2-[2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propoxy]phenyl]methyl]phenoxy]propyl] ester
OPENEYE Name: [2-hydroxy-3-[2-[[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]methyl]phenoxy]propyl] 2-methylprop-2-enoate
IUPAC Name: [2-hydroxy-3-[2-[[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]methyl]phenoxy]propyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [3-[2-[[2-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propoxy]phenyl]methyl]phenoxy]-2-oxidanyl-propyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C27H32O8
MOLECULAR WEIGHT: 484.53818
SMILES: CC(=C)C(=O)OCC(COC1=CC=CC=C1CC2=CC=CC=C2OCC(COC(=O)C(=C)C)O)O
CAS RN: 93637-68-4
CAS Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(3-nitro-4-propoxyphenyl)-1-imidazolyl]acetamide
OPENEYE Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]-2-[4-(3-nitro-4-propoxy-phenyl)imidazol-1-yl]acetamide
IUPAC Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(3-nitro-4-propoxyphenyl)imidazol-1-yl]acetamide
SYSTEMATIC NAME: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(3-nitro-4-propoxy-phenyl)imidazol-1-yl]ethanamide
MOLECULAR FORMULA: C25H28Cl2N6O4
MOLECULAR WEIGHT: 547.43362
SMILES: CCCOC1=C(C=C(C=C1)C2=CN(C=N2)CC(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl)[N+](=O)[O-]
CAS RN: 98072-11-8
CAS Name: 2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-2-octadecenoic acid
OPENEYE Name: 2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-octadec-2-enoic acid
IUPAC Name: 2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-octadec-2-enoic acid
SYSTEMATIC NAME: 2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-octadec-2-enoic acid
MOLECULAR FORMULA: C40H79NO4
MOLECULAR WEIGHT: 638.05956
SMILES: CCCCCCCCCCCCCCC/C=C/C(=O)O.CCCCCCCC/C=C/CCCCCCCCN(CCO)CCO
CAS RN: 75431-67-3
CAS Name: lithium 3-(4-anilinophenyl)azobenzenesulfonate
OPENEYE Name: lithium 3-(4-anilinophenyl)azobenzenesulfonate
IUPAC Name: lithium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
SYSTEMATIC NAME: lithium 3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate
MOLECULAR FORMULA: C18H14LiN3O3S
MOLECULAR WEIGHT: 359.32806
SMILES: [Li+].C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-]
CAS RN: 98072-17-4
CAS Name: disodium (5Z)-5-[(4-nitrophenyl)hydrazinylidene]-6-oxo-3-[(6-sulfonato-1-naphthalenyl)azo]-1-cyclohexa-1,3-dienecarboxylate
OPENEYE Name: disodium (5Z)-5-[(4-nitrophenyl)hydrazono]-6-oxo-3-[(6-sulfonato-1-naphthyl)azo]cyclohexa-1,3-diene-1-carboxylate
IUPAC Name: disodium (5Z)-5-[(4-nitrophenyl)hydrazinylidene]-6-oxo-3-[(6-sulfonatonaphthalen-1-yl)diazenyl]cyclohexa-1,3-diene-1-carboxylate
SYSTEMATIC NAME: disodium (5Z)-5-[(4-nitrophenyl)hydrazinylidene]-6-oxidanylidene-3-[(6-sulfonatonaphthalen-1-yl)diazenyl]cyclohexa-1,3-diene-1-carboxylate
MOLECULAR FORMULA: C23H13N5Na2O8S
MOLECULAR WEIGHT: 565.42256
SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)N=NC3=C/C(=N/NC4=CC=C(C=C4)[N+](=O)[O-])/C(=O)C(=C3)C(=O)[O-].[Na+].[Na+]
CAS RN: 93893-06-2
CAS Name: sodium [4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]iminio]-2-methyl-1-cyclohexa-2,5-dienylidene]methyl]-N-ethyl-3-methylanilino]-phenylmethanesulfonate
OPENEYE Name: sodium [4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]iminio]-2-methyl-cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methyl-anilino]-phenyl-methanesulfonate
IUPAC Name: sodium [4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]-phenylmethanesulfonate
SYSTEMATIC NAME: sodium [[4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]azaniumylidene]-2-methyl-cyclohexa-2,5-dien-1-ylidene]methyl]-3-methyl-phenyl]-ethyl-amino]-phenyl-methanesulfonate
MOLECULAR FORMULA: C39H38ClN2NaO6S2
MOLECULAR WEIGHT: 753.30159
SMILES: CCN(C1=CC(=C(C=C1)/C(=C/2\C=C/C(=[N+](/CC)\C(C3=CC=CC=C3)S(=O)(=O)[O-])/C=C2C)/C4=CC=CC=C4Cl)C)C(C5=CC=CC=C5)S(=O)(=O)[O-].[Na+]
CAS RN: 94248-79-0
CAS Name: nonanoic acid 6-methylheptyl ester
OPENEYE Name: 6-methylheptyl nonanoate
IUPAC Name: 6-methylheptyl nonanoate
SYSTEMATIC NAME: 6-methylheptyl nonanoate
MOLECULAR FORMULA: C17H34O2
MOLECULAR WEIGHT: 270.45066
SMILES: CCCCCCCCC(=O)OCCCCCC(C)C
CAS RN: 69847-62-7
CAS Name: benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; 2,4-diaminobenzenesulfonic acid
OPENEYE Name: benzene-1,3-diamine; 2,4-diaminobenzenesulfonic acid; isophthalic acid
IUPAC Name: benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; 2,4-diaminobenzenesulfonic acid
SYSTEMATIC NAME: benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; 2,4-bis(azanyl)benzenesulfonic acid
MOLECULAR FORMULA: C20H22N4O7S
MOLECULAR WEIGHT: 462.47628
SMILES: C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC(=C1)N)N.C1=CC(=C(C=C1N)N)S(=O)(=O)O
CAS RN: 17275-59-1
CAS Name: lithium hexafluorozirconium(2-)
OPENEYE Name: lithium hexafluorozirconium(2-)
IUPAC Name: lithium hexafluorozirconium(2-)
SYSTEMATIC NAME: lithium hexakis(fluoranyl)zirconium(2-)
MOLECULAR FORMULA: F6LiZr-
MOLECULAR WEIGHT: 212.155419
SMILES: [Li+].F[Zr-2](F)(F)(F)(F)F
CAS RN: 13989-32-7
CAS Name: N-ethoxy-N-ethylethanamine chloride
OPENEYE Name: N-ethoxy-N-ethyl-ethanamine chloride
IUPAC Name: N-ethoxy-N-ethylethanamine chloride
SYSTEMATIC NAME: N-ethoxy-N-ethyl-ethanamine chloride
MOLECULAR FORMULA: C6H15ClNO-
MOLECULAR WEIGHT: 152.6424
SMILES: CCN(CC)OCC.[Cl-]
CAS RN: 94113-36-7
CAS Name: tetraammonium N,N-bis(phosphonatomethyl)-1-propanamine
OPENEYE Name: tetraammonium N,N-bis(phosphonatomethyl)propan-1-amine
IUPAC Name: tetraazanium N,N-bis(phosphonatomethyl)propan-1-amine
SYSTEMATIC NAME: tetraazanium N,N-bis(phosphonatomethyl)propan-1-amine
MOLECULAR FORMULA: C5H27N5O6P2
MOLECULAR WEIGHT: 315.245302
SMILES: CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
CAS RN: 94202-03-6
CAS Name: tetraammonium N,N-bis(phosphonatomethyl)-1-propanamine
OPENEYE Name: tetraammonium N,N-bis(phosphonatomethyl)propan-1-amine
IUPAC Name: tetraazanium N,N-bis(phosphonatomethyl)propan-1-amine
SYSTEMATIC NAME: tetraazanium N,N-bis(phosphonatomethyl)propan-1-amine
MOLECULAR FORMULA: C5H27N5O6P2
MOLECULAR WEIGHT: 315.245302
SMILES: CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
CAS RN: 70660-49-0
CAS Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid
OPENEYE Name: adipic acid; 2,2-dimethylpropane-1,3-diol; ethylene glycol
IUPAC Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid
SYSTEMATIC NAME: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid
MOLECULAR FORMULA: C13H28O8
MOLECULAR WEIGHT: 312.35662
SMILES: CC(C)(CO)CO.C(CCC(=O)O)CC(=O)O.C(CO)O
CAS RN: 84029-80-1
CAS Name: (Z)-2-butenedioic acid O4-[butyl-bis[(Z)-4-ethoxy-1,4-dioxobut-2-enoxy]stannyl] ester O1-ethyl ester
OPENEYE Name: O4-[butyl-bis[[(Z)-4-ethoxy-4-oxo-but-2-enoyl]oxy]stannyl] O1-ethyl (Z)-but-2-enedioate
IUPAC Name: 4-O-[butyl-bis[[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxy]stannyl] 1-O-ethyl (Z)-but-2-enedioate
SYSTEMATIC NAME: O4-[butyl-bis[[(Z)-4-ethoxy-4-oxidanylidene-but-2-enoyl]oxy]stannyl] O1-ethyl (Z)-but-2-enedioate
MOLECULAR FORMULA: C22H30O12Sn
MOLECULAR WEIGHT: 605.1764
SMILES: CCCC[Sn](OC(=O)/C=C\C(=O)OCC)(OC(=O)/C=C\C(=O)OCC)OC(=O)/C=C\C(=O)OCC
CAS RN: 146817-69-8
CAS Name: 3-(3-hydroxypropoxy)-1-propanol; 3-[2-(3-hydroxypropoxy)propoxy]-1-propanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
OPENEYE Name: 3-(3-hydroxypropoxy)propan-1-ol; 3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
IUPAC Name: 3-(3-hydroxypropoxy)propan-1-ol; 3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
SYSTEMATIC NAME: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 3-(3-oxidanylpropoxy)propan-1-ol; 3-[2-(3-oxidanylpropoxy)propoxy]propan-1-ol
MOLECULAR FORMULA: C30H44N2O9
MOLECULAR WEIGHT: 576.67836
SMILES: CC(COCCCO)OCCCO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CO)COCCCO
CAS RN: 93920-41-3
CAS Name: (6Z)-4-amino-3-[4-[4-[(2E)-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]phenyl]azo-5-oxo-6-[(4-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
OPENEYE Name: (6Z)-4-amino-3-[4-[4-[(2E)-2-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]phenyl]azo-5-oxo-6-[(4-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid
IUPAC Name: (6Z)-4-amino-3-[[4-[4-[(2E)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]diazenyl]-5-oxo-6-[(4-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (6Z)-4-azanyl-5-oxidanylidene-3-[[4-[4-[(2E)-2-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]diazenyl]-6-[(4-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C34H25N7O12S3
MOLECULAR WEIGHT: 819.797
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=C4C=C(/C(=N\NC5=CC=C(C=C5)S(=O)(=O)O)/C(=O)C4=C3N)S(=O)(=O)O)S(=O)(=O)O)N/N=C/6\C=CC(=O)C=C6O
CAS RN: 94113-45-8
CAS Name: 3-[3-[(Z)-octadec-8-en-9-yl]oxypropylamino]propanoic acid
OPENEYE Name: 3-[3-[(1Z)-1-octylidenedecoxy]propylamino]propanoic acid
IUPAC Name: 3-[3-[(Z)-octadec-8-en-9-yl]oxypropylamino]propanoic acid
SYSTEMATIC NAME: 3-[3-[(Z)-octadec-8-en-9-yl]oxypropylamino]propanoic acid
MOLECULAR FORMULA: C24H47NO3
MOLECULAR WEIGHT: 397.63488
SMILES: CCCCCCCCC/C(=C/CCCCCCC)/OCCCNCCC(=O)O
CAS RN: 71965-11-2
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; pentyl dihydrogen phosphate
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; pentyl dihydrogen phosphate
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; pentyl dihydrogen phosphate
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; pentyl dihydrogen phosphate
MOLECULAR FORMULA: C11H28NO7P
MOLECULAR WEIGHT: 317.316281
SMILES: CCCCCOP(=O)(O)O.C(CO)N(CCO)CCO
CAS RN: 96507-71-0
CAS Name: [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid; (3S)-3-phenyl-3-[1-(phenylmethyl)-4-piperidinyl]piperidine-2,6-dione
OPENEYE Name: (3S)-3-(1-benzyl-4-piperidyl)-3-phenyl-piperidine-2,6-dione; [(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid
IUPAC Name: (3S)-3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione; [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
SYSTEMATIC NAME: [(1R,4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid; (3S)-3-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]piperidine-2,6-dione
MOLECULAR FORMULA: C33H42N2O6S
MOLECULAR WEIGHT: 594.76138
SMILES: CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.C1CN(CCC1[C@@]2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4
CAS RN: 93982-93-5
CAS Name: disodium 5-[[4-anilino-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-anilino-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-anilino-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-(2-hydroxyethyloxy)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethyloxy)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C36H32N10Na2O10S2
MOLECULAR WEIGHT: 874.80982
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)OCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)OCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 116912-49-3
CAS Name: N,N-diethylethanamine; 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
OPENEYE Name: N,N-diethylethanamine; 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
IUPAC Name: N,N-diethylethanamine; 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
SYSTEMATIC NAME: N,N-diethylethanamine; 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid
MOLECULAR FORMULA: C19H25N3O3S3
MOLECULAR WEIGHT: 439.6151
SMILES: CCN(CC)CC.CN\1C2=CC=CC=C2S/C1=C/3\C(=O)N(C(=S)S3)CC(=O)O
CAS RN: 195993-13-6
CAS Name: 3-[(8-carboxy-1-naphthalenyl)-oxomethyl]-1H-indole-7-carboxylic acid
OPENEYE Name: 3-(8-carboxynaphthalene-1-carbonyl)-1H-indole-7-carboxylic acid
IUPAC Name: 3-(8-carboxynaphthalene-1-carbonyl)-1H-indole-7-carboxylic acid
SYSTEMATIC NAME: 3-(8-carboxynaphthalen-1-yl)carbonyl-1H-indole-7-carboxylic acid
MOLECULAR FORMULA: C21H13NO5
MOLECULAR WEIGHT: 359.33162
SMILES: C1=CC2=C(C(=C1)C(=O)C3=CNC4=C3C=CC=C4C(=O)O)C(=CC=C2)C(=O)O
CAS RN: 106141-33-7
CAS Name: disodium 3-[(8-carboxylato-1-naphthalenyl)-oxomethyl]-1H-indole-7-carboxylate
OPENEYE Name: disodium 3-(8-carboxylatonaphthalene-1-carbonyl)-1H-indole-7-carboxylate
IUPAC Name: disodium 3-(8-carboxylatonaphthalene-1-carbonyl)-1H-indole-7-carboxylate
SYSTEMATIC NAME: disodium 3-(8-carboxylatonaphthalen-1-yl)carbonyl-1H-indole-7-carboxylate
MOLECULAR FORMULA: C21H11NNa2O5
MOLECULAR WEIGHT: 403.29528
SMILES: C1=CC2=C(C(=C1)C(=O)C3=CNC4=C3C=CC=C4C(=O)[O-])C(=CC=C2)C(=O)[O-].[Na+].[Na+]
CAS RN: 93918-86-6
CAS Name: 1-[N-(2-hydroxybutyl)-3,5-dimethylanilino]-2-butanol
OPENEYE Name: 1-[N-(2-hydroxybutyl)-3,5-dimethyl-anilino]butan-2-ol
IUPAC Name: 1-[N-(2-hydroxybutyl)-3,5-dimethylanilino]butan-2-ol
SYSTEMATIC NAME: 1-[(3,5-dimethylphenyl)-(2-oxidanylbutyl)amino]butan-2-ol
MOLECULAR FORMULA: C16H27NO2
MOLECULAR WEIGHT: 265.39108
SMILES: CCC(CN(CC(CC)O)C1=CC(=CC(=C1)C)C)O
CAS RN: 115035-54-6
CAS Name: decanedioic acid; hexanedioic acid; propane-1,2-diol
OPENEYE Name: adipic acid; decanedioic acid; propane-1,2-diol
IUPAC Name: decanedioic acid; hexanedioic acid; propane-1,2-diol
SYSTEMATIC NAME: decanedioic acid; hexanedioic acid; propane-1,2-diol
MOLECULAR FORMULA: C19H36O10
MOLECULAR WEIGHT: 424.48314
SMILES: CC(CO)O.C(CCCCC(=O)O)CCCC(=O)O.C(CCC(=O)O)CC(=O)O
CAS RN: 94094-46-9
CAS Name: 3-(diethylamino)-1,1-dithiophen-2-yl-1-butanol
OPENEYE Name: 3-(diethylamino)-1,1-bis(2-thienyl)butan-1-ol
IUPAC Name: 3-(diethylamino)-1,1-dithiophen-2-ylbutan-1-ol
SYSTEMATIC NAME: 3-(diethylamino)-1,1-dithiophen-2-yl-butan-1-ol
MOLECULAR FORMULA: C16H23NOS2
MOLECULAR WEIGHT: 309.48992
SMILES: CCN(CC)C(C)CC(C1=CC=CS1)(C2=CC=CS2)O
CAS RN: 94159-09-8
CAS Name: 2-[[1-[4-[(E)-2-[4-[[4-anilino-6-[4-[(2E)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-5-sulfobenzoic acid
OPENEYE Name: 2-[[1-[4-[(E)-2-[4-[[4-anilino-6-[4-[(2E)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-5-sulfo-benzoic acid
IUPAC Name: 2-[[1-[4-[(E)-2-[4-[[4-anilino-6-[4-[(2E)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid
SYSTEMATIC NAME: 2-[[1-[4-[(E)-2-[4-[[4-[[4-[(2E)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-5-sulfo
MOLECULAR FORMULA: C47H36N12O15S3
MOLECULAR WEIGHT: 1105.05514
SMILES: CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)N/N=C/7\C=CC(=O)C(=C7)C(=O)O)NC8=CC=CC=C8)S(=O)(=O)O)S(=O)(=O)O
CAS RN: 94713-20-9
CAS Name: 1-(4-amino-2-hydroxyphenyl)-3-(4-cyanophenyl)urea; 4-methylbenzenesulfonic acid
OPENEYE Name: 1-(4-amino-2-hydroxy-phenyl)-3-(4-cyanophenyl)urea; 4-methylbenzenesulfonic acid
IUPAC Name: 1-(4-amino-2-hydroxyphenyl)-3-(4-cyanophenyl)urea; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 1-(4-azanyl-2-oxidanyl-phenyl)-3-(4-cyanophenyl)urea; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C21H20N4O5S
MOLECULAR WEIGHT: 440.4723
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C#N)NC(=O)NC2=C(C=C(C=C2)N)O
CAS RN: 129757-76-2
CAS Name: 1,6-diisocyanatohexane; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-oxepanone
OPENEYE Name: 1,6-diisocyanatohexane; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; oxepan-2-one
IUPAC Name: 1,6-diisocyanatohexane; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; oxepan-2-one
SYSTEMATIC NAME: 1,6-diisocyanatohexane; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; oxepan-2-one
MOLECULAR FORMULA: C20H36N2O7
MOLECULAR WEIGHT: 416.50904
SMILES: CCC(CO)(CO)CO.C1CCC(=O)OCC1.C(CCCN=C=O)CCN=C=O
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