CAS RN: 57863-48-6
CAS Name: ethane-1,2-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione; propane-1,2-diol; terephthalic acid
OPENEYE Name: ethylene glycol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione; propane-1,2-diol; terephthalic acid
IUPAC Name: 2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; propane-1,2-diol; terephthalic acid
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; 2-(2-hydroxyethyloxy)ethanol; propane-1,2-diol; terephthalic acid
MOLECULAR FORMULA: C29H36O17
MOLECULAR WEIGHT: 656.58594
SMILES: CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=O)OC1=O.C(CO)O.C(COCCO)O
Structure:
CAS RN: 57836-11-0
CAS Name: (2S)-4-amino-2-[methyl-[2-(methylamino)-1-oxoethyl]amino]-3-oxobutanoic acid
OPENEYE Name: (2S)-4-amino-2-[methyl-[2-(methylamino)acetyl]amino]-3-oxo-butanoic acid
IUPAC Name: (2S)-4-amino-2-[methyl-[2-(methylamino)acetyl]amino]-3-oxobutanoic acid
SYSTEMATIC NAME: (2S)-4-azanyl-2-[methyl-[2-(methylamino)ethanoyl]amino]-3-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C8H15N3O4
MOLECULAR WEIGHT: 217.2224
SMILES: CNCC(=O)N(C)[C@@H](C(=O)CN)C(=O)O
Structure:
CAS RN: 57816-63-4
CAS Name: ammonium; furan-2,5-dione; 2-propenoate; styrene
OPENEYE Name: ammonium; furan-2,5-dione; prop-2-enoate; styrene
IUPAC Name: azanium; furan-2,5-dione; prop-2-enoate; styrene
SYSTEMATIC NAME: azanium; ethenylbenzene; furan-2,5-dione; prop-2-enoate
MOLECULAR FORMULA: C15H17NO5
MOLECULAR WEIGHT: 291.29918
SMILES: C=CC1=CC=CC=C1.C=CC(=O)[O-].C1=CC(=O)OC1=O.[NH4+]
Structure:
CAS RN: 55500-57-7
CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate hydrochloride
IUPAC Name: ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate hydrochloride
SYSTEMATIC NAME: ethyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate hydrochloride
MOLECULAR FORMULA: C14H22BrClN2O2
MOLECULAR WEIGHT: 365.69368
SMILES: CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCC)Br)N.Cl
Structure:
CAS RN: 57814-29-6
CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate hydrochloride
IUPAC Name: ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate hydrochloride
SYSTEMATIC NAME: ethyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate hydrochloride
MOLECULAR FORMULA: C14H22BrClN2O2
MOLECULAR WEIGHT: 365.69368
SMILES: CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCC)Br)N.Cl
Structure:
CAS RN: 57801-97-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H8BrClN4S
MOLECULAR WEIGHT: 379.66212
SMILES: C1C2=NN=CN2C3=C(C=C(S3)Br)C(=N1)C4=CC=CC=C4Cl
Structure:
CAS RN: 57765-71-6
CAS Name: 5-amino-3,4-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-3-methylbutyl]-2-methylheptanamide
OPENEYE Name: 5-amino-3,4-dihydroxy-N-[1-(8-hydroxy-1-oxo-isochroman-3-yl)-3-methyl-butyl]-2-methyl-heptanamide
IUPAC Name: 5-amino-3,4-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-2-methylheptanamide
SYSTEMATIC NAME: 5-azanyl-2-methyl-N-[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]-3,4-bis(oxidanyl)heptanamide
MOLECULAR FORMULA: C22H34N2O6
MOLECULAR WEIGHT: 422.51516
SMILES: CCC(C(C(C(C)C(=O)NC(CC(C)C)C1CC2=C(C(=CC=C2)O)C(=O)O1)O)O)N
Structure:
CAS RN: 57762-33-1
CAS Name: ethanol; 1,1,2-trichloro-1,2,2-trifluoroethane
OPENEYE Name: ethanol; 1,1,2-trichloro-1,2,2-trifluoro-ethane
IUPAC Name: ethanol; 1,1,2-trichloro-1,2,2-trifluoroethane
SYSTEMATIC NAME: ethanol; 1,1,2-tris(chloranyl)-1,2,2-tris(fluoranyl)ethane
MOLECULAR FORMULA: C4H6Cl3F3O
MOLECULAR WEIGHT: 233.44405
SMILES: CCO.C(C(F)(Cl)Cl)(F)(F)Cl
Structure:
CAS RN: 57731-67-6
CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester
OPENEYE Name: 1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methyl-butanoate
IUPAC Name: 1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methylbutanoate
SYSTEMATIC NAME: 1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methyl-butanoate
MOLECULAR FORMULA: C26H23ClO3
MOLECULAR WEIGHT: 418.91202
SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#C)C2=CC(=CC=C2)OC3=CC=CC=C3
Structure:
CAS RN: 57729-98-3
CAS Name: N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline
OPENEYE Name: N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline
IUPAC Name: N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-2,4-dinitro-6-(trifluoromethyl)aniline
MOLECULAR FORMULA: C13H6F5N3O4
MOLECULAR WEIGHT: 363.196456
SMILES: C1=CC(=C(C=C1F)F)NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 57701-86-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H46O15
MOLECULAR WEIGHT: 730.75214
SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H](C(=C)[C@@H]([C@H]([C@H](C([C@@H]3C(=O)[C@@H]([C@]2(O3)O)C)(C)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 57695-35-9
CAS Name: azepane; 2-nitrophenol
OPENEYE Name: azepane; 2-nitrophenol
IUPAC Name: azepane; 2-nitrophenol
SYSTEMATIC NAME: azepane; 2-nitrophenol
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: C1CCCNCC1.C1=CC=C(C(=C1)[N+](=O)[O-])O
Structure:
CAS RN: 57695-07-5
CAS Name: 8-(5-aminopentan-2-ylamino)-6-methoxy-1H-quinolin-5-one
OPENEYE Name: 8-[(4-amino-1-methyl-butyl)amino]-6-methoxy-1H-quinolin-5-one
IUPAC Name: 8-(5-aminopentan-2-ylamino)-6-methoxy-1H-quinolin-5-one
SYSTEMATIC NAME: 8-(5-azanylpentan-2-ylamino)-6-methoxy-1H-quinolin-5-one
MOLECULAR FORMULA: C15H21N3O2
MOLECULAR WEIGHT: 275.34614
SMILES: CC(CCCN)NC1=C2C(=CC=CN2)C(=O)C(=C1)OC
Structure:
CAS RN: 57693-55-7
CAS Name: buta-1,3-diene; 2-propenenitrile; 2-propenoic acid 2-hydroxyethyl ester
OPENEYE Name: buta-1,3-diene; 2-hydroxyethyl prop-2-enoate; prop-2-enenitrile
IUPAC Name: buta-1,3-diene; 2-hydroxyethyl prop-2-enoate; prop-2-enenitrile
SYSTEMATIC NAME: buta-1,3-diene; 2-hydroxyethyl prop-2-enoate; prop-2-enenitrile
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: C=CC=C.C=CC#N.C=CC(=O)OCCO
Structure:
CAS RN: 57673-13-9
CAS Name: N-(hydroxymethyl)-2-propenamide; 2-methylenebutanoic acid; 2-methyl-2-propenoic acid methyl ester; 2-propenenitrile
OPENEYE Name: N-(hydroxymethyl)prop-2-enamide; 2-methylenebutanoic acid; methyl 2-methylprop-2-enoate; prop-2-enenitrile
IUPAC Name: N-(hydroxymethyl)prop-2-enamide; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; prop-2-enenitrile
SYSTEMATIC NAME: N-(hydroxymethyl)prop-2-enamide; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; prop-2-enenitrile
MOLECULAR FORMULA: C17H26N2O6
MOLECULAR WEIGHT: 354.39814
SMILES: CCC(=C)C(=O)O.CC(=C)C(=O)OC.C=CC#N.C=CC(=O)NCO
Structure:
CAS RN: 57586-10-4
CAS Name: 2-(4-tert-butylphenoxy)-N,N-diethylethanamine
OPENEYE Name: 2-(4-tert-butylphenoxy)-N,N-diethyl-ethanamine
IUPAC Name: 2-(4-tert-butylphenoxy)-N,N-diethylethanamine
SYSTEMATIC NAME: 2-(4-tert-butylphenoxy)-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C16H27NO
MOLECULAR WEIGHT: 249.39168
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(C)(C)C
Structure:
CAS RN: 139090-59-8
CAS Name: benzene-1,4-dicarboxylic acid bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] ester
OPENEYE Name: bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenyl] benzene-1,4-dicarboxylate
IUPAC Name: bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzene-1,4-dicarboxylate
SYSTEMATIC NAME: bis[2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-4-methyl-phenyl] benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C54H66O6
MOLECULAR WEIGHT: 811.09824
SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC(=O)C3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4C(C)(C)C)C)CC5=C(C(=CC(=C5)C)C(C)(C)C)O
Structure:
CAS RN: 57569-40-1
CAS Name: benzene-1,4-dicarboxylic acid bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] ester
OPENEYE Name: bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenyl] benzene-1,4-dicarboxylate
IUPAC Name: bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzene-1,4-dicarboxylate
SYSTEMATIC NAME: bis[2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-4-methyl-phenyl] benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C54H66O6
MOLECULAR WEIGHT: 811.09824
SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC(=O)C3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4C(C)(C)C)C)CC5=C(C(=CC(=C5)C)C(C)(C)C)O
Structure:
CAS RN: 57539-70-5
CAS Name: (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4R
OPENEYE Name: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-
IUPAC Name: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b
MOLECULAR FORMULA: C48H78O18
MOLECULAR WEIGHT: 943.12212
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O
Structure:
CAS RN: 57532-29-3
CAS Name: 2-[[2-(4-chlorophenyl)-1,3-dioxo-4-isoindolyl]azo]-N-[2,5-dichloro-4-[[2-[[2-(4-chlorophenyl)-1,3-dioxo-4-isoindolyl]azo]-1,3-dioxobutyl]amino]phenyl]-3-oxobutanamide
OPENEYE Name: 2-[2-(4-chlorophenyl)-1,3-dioxo-isoindolin-4-yl]azo-N-[2,5-dichloro-4-[[2-[2-(4-chlorophenyl)-1,3-dioxo-isoindolin-4-yl]azo-3-oxo-butanoyl]amino]phenyl]-3-oxo-butanamide
IUPAC Name: 2-[[2-(4-chlorophenyl)-1,3-dioxoisoindol-4-yl]diazenyl]-N-[2,5-dichloro-4-[[2-[[2-(4-chlorophenyl)-1,3-dioxoisoindol-4-yl]diazenyl]-3-oxobutanoyl]amino]phenyl]-3-oxobutanamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)-4-[[2-[[2-(4-chlorophenyl)-1,3-bis(oxidanylidene)isoindol-4-yl]diazenyl]-3-oxidanylidene-butanoyl]amino]phenyl]-2-[[2-(4-chlorophenyl)-1,3-bis(oxidanylidene)isoindol-4-yl]diazenyl]-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C42H26Cl4N8O8
MOLECULAR WEIGHT: 912.51664
SMILES: CC(=O)C(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C(C(=O)C)N=NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=C(C=C4)Cl)Cl)N=NC5=CC=CC6=C5C(=O)N(C6=O)C7=CC=C(C=C7)Cl
Structure:
CAS RN: 57531-87-0
CAS Name: 2,4,5-trichloro-6-methoxybenzene-1,3-dicarbonitrile
OPENEYE Name: 2,4,5-trichloro-6-methoxy-benzene-1,3-dicarbonitrile
IUPAC Name: 2,4,5-trichloro-6-methoxybenzene-1,3-dicarbonitrile
SYSTEMATIC NAME: 2,4,5-tris(chloranyl)-6-methoxy-benzene-1,3-dicarbonitrile
MOLECULAR FORMULA: C9H3Cl3N2O
MOLECULAR WEIGHT: 261.49192
SMILES: COC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N
Structure:
CAS RN: 57472-50-1
CAS Name: [2-[[2-benzoyl-6-(hydroxymethoxy)phenyl]methyl]-3-(hydroxymethoxy)phenyl]-phenylmethanone
OPENEYE Name: [2-[[2-benzoyl-6-(hydroxymethoxy)phenyl]methyl]-3-(hydroxymethoxy)phenyl]-phenyl-methanone
IUPAC Name: [2-[[2-benzoyl-6-(hydroxymethoxy)phenyl]methyl]-3-(hydroxymethoxy)phenyl]-phenylmethanone
SYSTEMATIC NAME: [3-(hydroxymethyloxy)-2-[[2-(hydroxymethyloxy)-6-(phenylcarbonyl)phenyl]methyl]phenyl]-phenyl-methanone
MOLECULAR FORMULA: C29H24O6
MOLECULAR WEIGHT: 468.49726
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)OCO)CC3=C(C=CC=C3OCO)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 94765-82-9
CAS Name: [2-[[2-benzoyl-6-(hydroxymethoxy)phenyl]methyl]-3-(hydroxymethoxy)phenyl]-phenylmethanone
OPENEYE Name: [2-[[2-benzoyl-6-(hydroxymethoxy)phenyl]methyl]-3-(hydroxymethoxy)phenyl]-phenyl-methanone
IUPAC Name: [2-[[2-benzoyl-6-(hydroxymethoxy)phenyl]methyl]-3-(hydroxymethoxy)phenyl]-phenylmethanone
SYSTEMATIC NAME: [3-(hydroxymethyloxy)-2-[[2-(hydroxymethyloxy)-6-(phenylcarbonyl)phenyl]methyl]phenyl]-phenyl-methanone
MOLECULAR FORMULA: C29H24O6
MOLECULAR WEIGHT: 468.49726
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)OCO)CC3=C(C=CC=C3OCO)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 57448-83-6
CAS Name: 2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; (2,5-dioxo-4-imidazolidinyl)urea
OPENEYE Name: 2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; (2,5-dioxoimidazolidin-4-yl)urea
IUPAC Name: 2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; (2,5-dioxoimidazolidin-4-yl)urea
SYSTEMATIC NAME: 2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea
MOLECULAR FORMULA: C10H14N4O9
MOLECULAR WEIGHT: 334.23956
SMILES: C([C@@H](C1C(=O)C(=C(O1)O)O)O)O.C1(C(=O)NC(=O)N1)NC(=O)N
Structure:
CAS RN: 57447-94-6
CAS Name: N-(hydroxymethyl)-2-methyl-2-propenamide; 2-propenenitrile; 2-propenoic acid ethyl ester
OPENEYE Name: ethyl prop-2-enoate; N-(hydroxymethyl)-2-methyl-prop-2-enamide; prop-2-enenitrile
IUPAC Name: ethyl prop-2-enoate; N-(hydroxymethyl)-2-methylprop-2-enamide; prop-2-enenitrile
SYSTEMATIC NAME: ethyl prop-2-enoate; N-(hydroxymethyl)-2-methyl-prop-2-enamide; prop-2-enenitrile
MOLECULAR FORMULA: C13H20N2O4
MOLECULAR WEIGHT: 268.3089
SMILES: CCOC(=O)C=C.CC(=C)C(=O)NCO.C=CC#N
Structure:
CAS RN: 57440-79-6
CAS Name: trimethyl-[2-[1-oxo-4-(1-pyrenyl)butoxy]ethyl]ammonium bromide
OPENEYE Name: trimethyl-[2-(4-pyren-1-ylbutanoyloxy)ethyl]ammonium bromide
IUPAC Name: trimethyl-[2-(4-pyren-1-ylbutanoyloxy)ethyl]azanium bromide
SYSTEMATIC NAME: trimethyl-[2-(4-pyren-1-ylbutanoyloxy)ethyl]azanium bromide
MOLECULAR FORMULA: C25H28BrNO2
MOLECULAR WEIGHT: 454.39932
SMILES: C[N+](C)(C)CCOC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.[Br-]
Structure:
CAS RN: 57416-00-9
CAS Name: decanoic acid [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
OPENEYE Name: [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl decanoate
IUPAC Name: [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl decanoate
SYSTEMATIC NAME: [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl decanoate
MOLECULAR FORMULA: C16H30O4
MOLECULAR WEIGHT: 286.407
SMILES: CCCCCCCCCC(=O)OC[C@H]1COC(O1)(C)C
Structure:
CAS RN: 57373-76-9
CAS Name: dipotassium palladium dicyanide
OPENEYE Name: dipotassium palladium dicyanide
IUPAC Name: dipotassium palladium dicyanide
SYSTEMATIC NAME: dipotassium palladium dicyanide
MOLECULAR FORMULA: C2K2N2Pd
MOLECULAR WEIGHT: 236.6514
SMILES: [C-]#N.[C-]#N.[K+].[K+].[Pd]
Structure:
CAS RN: 57361-81-6
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-formyl-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-formyl-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-formyl-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-6-methanoyl-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C25H34O5
MOLECULAR WEIGHT: 414.53446
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C4[C@@]3(CCC(=C4)OC)C)C=O)C)OC(=O)C
Structure:
CAS RN: 57359-17-8
CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]thiazole hydrochloride
OPENEYE Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]thiazole hydrochloride
IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1,3-thiazole hydrochloride
SYSTEMATIC NAME: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1,3-thiazole hydrochloride
MOLECULAR FORMULA: C16H20ClN3OS
MOLECULAR WEIGHT: 337.8675
SMILES: C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=NC=CS4.Cl
Structure:
CAS RN: 57354-65-1
CAS Name: 4-tert-butyl-2,6-di(propan-2-yl)phenol
OPENEYE Name: 4-tert-butyl-2,6-diisopropyl-phenol
IUPAC Name: 4-tert-butyl-2,6-di(propan-2-yl)phenol
SYSTEMATIC NAME: 4-tert-butyl-2,6-di(propan-2-yl)phenol
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)C(C)(C)C
Structure:
CAS RN: 57329-09-6
CAS Name: octanoic acid [(4aR,6R,7R,7aR)-2-hydroxy-2-oxo-6-[6-(1-oxooctylamino)-9-purinyl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester
OPENEYE Name: [(4aR,6R,7R,7aR)-2-hydroxy-6-[6-(octanoylamino)purin-9-yl]-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] octanoate
IUPAC Name: [(4aR,6R,7R,7aR)-2-hydroxy-6-[6-(octanoylamino)purin-9-yl]-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] octanoate
SYSTEMATIC NAME: [(4aR,6R,7R,7aR)-6-[6-(octanoylamino)purin-9-yl]-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] octanoate
MOLECULAR FORMULA: C26H40N5O8P
MOLECULAR WEIGHT: 581.598261
SMILES: CCCCCCCC(=O)NC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCCCCCC
Structure:
CAS RN: 57310-23-3
CAS Name: 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylic acid methyl ester
OPENEYE Name: methyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
IUPAC Name: methyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-1H-indeno[1,2-b]pyrrole-3-carboxylate
MOLECULAR FORMULA: C14H13NO5
MOLECULAR WEIGHT: 275.25672
SMILES: CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OC
Structure:
CAS RN: 57302-66-6
CAS Name: 4-[(4-chloroanilino)-oxomethoxy]but-2-ynyl-trimethylammonium iodide
OPENEYE Name: 4-[(4-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-ammonium iodide
IUPAC Name: 4-[(4-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium iodide
SYSTEMATIC NAME: 4-[(4-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C14H18ClIN2O2
MOLECULAR WEIGHT: 408.66239
SMILES: C[N+](C)(C)CC#CCOC(=O)NC1=CC=C(C=C1)Cl.[I-]
Structure:
CAS RN: 57267-52-4
CAS Name: 9-iodononanoic acid ethyl ester
OPENEYE Name: ethyl 9-iodononanoate
IUPAC Name: ethyl 9-iodononanoate
SYSTEMATIC NAME: ethyl 9-iodanylnonanoate
MOLECULAR FORMULA: C11H21IO2
MOLECULAR WEIGHT: 312.18771
SMILES: CCOC(=O)CCCCCCCCI
Structure:
CAS RN: 57236-36-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H24BrNO
MOLECULAR WEIGHT: 326.27186
SMILES: C[C@]12CCCCC[C@H]([C@@H]1N)CC3=C2C=C(C=C3)O.Br
Structure:
CAS RN: 57216-22-5
CAS Name: N-(hydroxymethyl)-2-methyl-2-propenamide; 2-methylenebutanoic acid; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; N-(hydroxymethyl)-2-methyl-prop-2-enamide; 2-methylenebutanoic acid; methyl 2-methylprop-2-enoate
IUPAC Name: N-(hydroxymethyl)-2-methylprop-2-enamide; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: N-(hydroxymethyl)-2-methyl-prop-2-enamide; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C18H29NO8
MOLECULAR WEIGHT: 387.42476
SMILES: CCC(=C)C(=O)O.CC(=C)C(=O)NCO.CC(=C)C(=O)OC.C=CC(=O)O
Structure:
CAS RN: 57166-92-4
CAS Name: methanediamine dihydrochloride
OPENEYE Name: methanediamine dihydrochloride
IUPAC Name: methanediamine dihydrochloride
SYSTEMATIC NAME: methanediamine dihydrochloride
MOLECULAR FORMULA: CH8Cl2N2
MOLECULAR WEIGHT: 118.99362
SMILES: C(N)N.Cl.Cl
Structure:
CAS RN: 57158-55-1
CAS Name: (2S)-2-amino-3-hydroxypropanoic acid; iron(2+); sulfate
OPENEYE Name: ferrous (2S)-2-amino-3-hydroxy-propanoic acid sulfate
IUPAC Name: (2S)-2-amino-3-hydroxypropanoic acid; iron(2+); sulfate
SYSTEMATIC NAME: (2S)-2-azanyl-3-oxidanyl-propanoic acid; iron(2+); sulfate
MOLECULAR FORMULA: C3H7FeNO7S
MOLECULAR WEIGHT: 257.00018
SMILES: C([C@@H](C(=O)O)N)O.[O-]S(=O)(=O)[O-].[Fe+2]
Structure:
CAS RN: 57158-54-0
CAS Name: ethanol; nitromethane; 1,1,2-trichloro-1,2,2-trifluoroethane
OPENEYE Name: ethanol; nitromethane; 1,1,2-trichloro-1,2,2-trifluoro-ethane
IUPAC Name: ethanol; nitromethane; 1,1,2-trichloro-1,2,2-trifluoroethane
SYSTEMATIC NAME: ethanol; nitromethane; 1,1,2-tris(chloranyl)-1,2,2-tris(fluoranyl)ethane
MOLECULAR FORMULA: C5H9Cl3F3NO3
MOLECULAR WEIGHT: 294.48407
SMILES: CCO.C[N+](=O)[O-].C(C(F)(Cl)Cl)(F)(F)Cl
Structure:
CAS RN: 57130-91-3
CAS Name: 1-(8-hydroxy-5-quinolinyl)ethanone; sulfuric acid
OPENEYE Name: 1-(8-hydroxy-5-quinolyl)ethanone; sulfuric acid
IUPAC Name: 1-(8-hydroxyquinolin-5-yl)ethanone; sulfuric acid
SYSTEMATIC NAME: 1-(8-oxidanylquinolin-5-yl)ethanone; sulfuric acid
MOLECULAR FORMULA: C22H20N2O8S
MOLECULAR WEIGHT: 472.4678
SMILES: CC(=O)C1=C2C=CC=NC2=C(C=C1)O.CC(=O)C1=C2C=CC=NC2=C(C=C1)O.OS(=O)(=O)O
Structure:
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