CAS RN: 26446-32-2
CAS Name: 5-hydroxydodecanoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl 5-hydroxydodecanoate
IUPAC Name: 2,3-dihydroxypropyl 5-hydroxydodecanoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 5-oxidanyldodecanoate
MOLECULAR FORMULA: C15H30O5
MOLECULAR WEIGHT: 290.3957
SMILES: CCCCCCCC(CCCC(=O)OCC(CO)O)O
Structure:
CAS RN: 93762-24-4
CAS Name: 5-hydroxydodecanoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl 5-hydroxydodecanoate
IUPAC Name: 2,3-dihydroxypropyl 5-hydroxydodecanoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 5-oxidanyldodecanoate
MOLECULAR FORMULA: C15H30O5
MOLECULAR WEIGHT: 290.3957
SMILES: CCCCCCCC(CCCC(=O)OCC(CO)O)O
Structure:
CAS RN: 93670-09-8
CAS Name: 10-methyl-2-oxo-8H-pyrano[3,2-g][1]benzopyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 10-methyl-2-oxo-8H-pyrano[3,2-g]chromene-3-carboxylate
IUPAC Name: ethyl 10-methyl-2-oxo-8H-pyrano[3,2-g]chromene-3-carboxylate
SYSTEMATIC NAME: ethyl 10-methyl-2-oxidanylidene-8H-pyrano[3,2-g]chromene-3-carboxylate
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: CCOC(=O)C1=CC2=CC3=C(C(=C2OC1=O)C)OCC=C3
Structure:
CAS RN: 93669-74-0
CAS Name: 10-methoxy-8H-pyrano[3,2-g][1]benzopyran-2-one
OPENEYE Name: 10-methoxy-8H-pyrano[3,2-g]chromen-2-one
IUPAC Name: 10-methoxy-8H-pyrano[3,2-g]chromen-2-one
SYSTEMATIC NAME: 10-methoxy-8H-pyrano[3,2-g]chromen-2-one
MOLECULAR FORMULA: C13H10O4
MOLECULAR WEIGHT: 230.2161
SMILES: COC1=C2C(=CC3=C1OCC=C3)C=CC(=O)O2
Structure:
CAS RN: 93669-72-8
CAS Name: 10-methyl-8H-pyrano[3,2-g][1]benzopyran-2-one
OPENEYE Name: 10-methyl-8H-pyrano[3,2-g]chromen-2-one
IUPAC Name: 10-methyl-8H-pyrano[3,2-g]chromen-2-one
SYSTEMATIC NAME: 10-methyl-8H-pyrano[3,2-g]chromen-2-one
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: CC1=C2C(=CC3=C1OCC=C3)C=CC(=O)O2
Structure:
CAS RN: 93669-70-6
CAS Name: 10-methoxy-2-oxo-8H-pyrano[3,2-g][1]benzopyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 10-methoxy-2-oxo-8H-pyrano[3,2-g]chromene-3-carboxylate
IUPAC Name: ethyl 10-methoxy-2-oxo-8H-pyrano[3,2-g]chromene-3-carboxylate
SYSTEMATIC NAME: ethyl 10-methoxy-2-oxidanylidene-8H-pyrano[3,2-g]chromene-3-carboxylate
MOLECULAR FORMULA: C16H14O6
MOLECULAR WEIGHT: 302.27876
SMILES: CCOC(=O)C1=CC2=CC3=C(C(=C2OC1=O)OC)OCC=C3
Structure:
CAS RN: 93606-20-3
CAS Name: sodium; chromium(3+); 1-[[3-(dioxidoamino)-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-2-naphthalenone; hydron; 7-nitro-3-oxido-4-[(2-oxido-1-naphthalenyl)azo]-1-naphthalenesulfonate
OPENEYE Name: chromic; sodium; 1-[[3-(dioxidoamino)-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]naphthalen-2-one; hydron; 7-nitro-3-oxido-4-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate
IUPAC Name: sodium; chromium(3+); 1-[[3-(dioxidoamino)-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; hydron; 7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: sodium; 1-[[3-[bis(oxidanidyl)amino]-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; chromium(3+); hydron; 7-nitro-3-oxidanidyl-4-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C36H19CrN7NaO13S
MOLECULAR WEIGHT: 864.62603
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=C(C3=O)[N+](=O)[O-])N([O-])[O-].[Na+].[Cr+3]
Structure:
CAS RN: 93552-53-5
CAS Name: (4S)-4-amino-5-[[(1S)-4-amino-1-carboxy-4-oxobutyl]-[2-[2,3-dihexadecoxypropoxy(hydroxy)phosphoryl]oxyethyl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-[[(1S)-4-amino-1-carboxy-4-oxo-butyl]-[2-[2,3-dihexadecoxypropoxy(hydroxy)phosphoryl]oxyethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-[[(1S)-4-amino-1-carboxy-4-oxobutyl]-[2-[2,3-dihexadecoxypropoxy(hydroxy)phosphoryl]oxyethyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-[2-[2,3-dihexadecoxypropoxy(oxidanyl)phosphoryl]oxyethyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C47H92N3O12P
MOLECULAR WEIGHT: 922.220041
SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCN([C@@H](CCC(=O)N)C(=O)O)C(=O)[C@H](CCC(=O)O)N)OCCCCCCCCCCCCCCCC
Structure:
CAS RN: 93502-34-2
CAS Name: 2-[[(butan-2-ylthio)-[methyl(methylsulfonyl)amino]phosphoryl]-methylamino]-2-oxoacetic acid phenyl ester
OPENEYE Name: phenyl 2-[methyl-[[methyl(methylsulfonyl)amino]-sec-butylsulfanyl-phosphoryl]amino]-2-oxo-acetate
IUPAC Name: phenyl 2-[[butan-2-ylsulfanyl-[methyl(methylsulfonyl)amino]phosphoryl]-methylamino]-2-oxoacetate
SYSTEMATIC NAME: phenyl 2-[[butan-2-ylsulfanyl-[methyl(methylsulfonyl)amino]phosphoryl]-methyl-amino]-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C15H23N2O6PS2
MOLECULAR WEIGHT: 422.456681
SMILES: CCC(C)SP(=O)(N(C)C(=O)C(=O)OC1=CC=CC=C1)N(C)S(=O)(=O)C
Structure:
CAS RN: 93501-65-6
CAS Name: N-[(butan-2-ylthio)-(methylamino)phosphoryl]-N-methylmethanesulfonamide
OPENEYE Name: N-methyl-N-[methylamino(sec-butylsulfanyl)phosphoryl]methanesulfonamide
IUPAC Name: N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylmethanesulfonamide
SYSTEMATIC NAME: N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methyl-methanesulfonamide
MOLECULAR FORMULA: C7H19N2O3PS2
MOLECULAR WEIGHT: 274.341121
SMILES: CCC(C)SP(=O)(NC)N(C)S(=O)(=O)C
Structure:
CAS RN: 93460-30-1
CAS Name: N-(6-chlorohexyl)-3-methyl-1-pyrazolecarboxamide
OPENEYE Name: N-(6-chlorohexyl)-3-methyl-pyrazole-1-carboxamide
IUPAC Name: N-(6-chlorohexyl)-3-methylpyrazole-1-carboxamide
SYSTEMATIC NAME: N-(6-chloranylhexyl)-3-methyl-pyrazole-1-carboxamide
MOLECULAR FORMULA: C11H18ClN3O
MOLECULAR WEIGHT: 243.73312
SMILES: CC1=NN(C=C1)C(=O)NCCCCCCCl
Structure:
CAS RN: 93460-56-1
CAS Name: N-(6-chlorohexyl)-3-methyl-1-pyrazolecarboxamide
OPENEYE Name: N-(6-chlorohexyl)-3-methyl-pyrazole-1-carboxamide
IUPAC Name: N-(6-chlorohexyl)-3-methylpyrazole-1-carboxamide
SYSTEMATIC NAME: N-(6-chloranylhexyl)-3-methyl-pyrazole-1-carboxamide
MOLECULAR FORMULA: C11H18ClN3O
MOLECULAR WEIGHT: 243.73312
SMILES: CC1=NN(C=C1)C(=O)NCCCCCCCl
Structure:
CAS RN: 93379-54-5
CAS Name: 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
OPENEYE Name: 2-[4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide
IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
SYSTEMATIC NAME: 2-[4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanamide
MOLECULAR FORMULA: C14H22N2O3
MOLECULAR WEIGHT: 266.33608
SMILES: CC(C)NC[C@@H](COC1=CC=C(C=C1)CC(=O)N)O
Structure:
CAS RN: 93207-55-7
CAS Name: 1-amino-3-(2-nitro-1-imidazolyl)-2-propanol; platinum(2+); dichloride
OPENEYE Name: 1-amino-3-(2-nitroimidazol-1-yl)propan-2-ol; platinum(2+); dichloride
IUPAC Name: 1-amino-3-(2-nitroimidazol-1-yl)propan-2-ol; platinum(2+); dichloride
SYSTEMATIC NAME: 1-azanyl-3-(2-nitroimidazol-1-yl)propan-2-ol; platinum(2+); dichloride
MOLECULAR FORMULA: C12H20Cl2N8O6Pt
MOLECULAR WEIGHT: 638.3212
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(CN)O.C1=CN(C(=N1)[N+](=O)[O-])CC(CN)O.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 93057-16-0
CAS Name: carbonic acid [(2R,3S,5R)-5-[5-fluoro-2,4-dioxo-3-[oxo-(4-propoxyphenyl)methyl]-1-pyrimidinyl]-2-[[(4-methoxyphenoxy)-oxomethoxy]methyl]-3-oxolanyl] (4-methoxyphenyl) ester
OPENEYE Name: [(2R,3S,5R)-5-[5-fluoro-2,4-dioxo-3-(4-propoxybenzoyl)pyrimidin-1-yl]-2-[(4-methoxyphenoxy)carbonyloxymethyl]tetrahydrofuran-3-yl] (4-methoxyphenyl) carbonate
IUPAC Name: [(2R,3S,5R)-5-[5-fluoro-2,4-dioxo-3-(4-propoxybenzoyl)pyrimidin-1-yl]-2-[(4-methoxyphenoxy)carbonyloxymethyl]oxolan-3-yl] (4-methoxyphenyl) carbonate
SYSTEMATIC NAME: [(2R,3S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)-3-(4-propoxyphenyl)carbonyl-pyrimidin-1-yl]-2-[(4-methoxyphenoxy)carbonyloxymethyl]oxolan-3-yl] (4-methoxyphenyl) carbonate
MOLECULAR FORMULA: C35H33FN2O13
MOLECULAR WEIGHT: 708.640523
SMILES: CCCOC1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COC(=O)OC4=CC=C(C=C4)OC)OC(=O)OC5=CC=C(C=C5)OC)F
Structure:
CAS RN: 93037-39-9
CAS Name: 2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-N-methylacetamide
OPENEYE Name: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-N-methyl-acetamide
IUPAC Name: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-N-methylacetamide
SYSTEMATIC NAME: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-N-methyl-ethanamide
MOLECULAR FORMULA: C6H11ClN4O3
MOLECULAR WEIGHT: 222.62954
SMILES: CNC(=O)CNC(=O)N(CCCl)N=O
Structure:
CAS RN: 92981-78-7
CAS Name: N,N-diethyl-2-[4-(phenylmethyl)phenoxy]ethanamine hydrochloride
OPENEYE Name: 2-(4-benzylphenoxy)-N,N-diethyl-ethanamine hydrochloride
IUPAC Name: 2-(4-benzylphenoxy)-N,N-diethylethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-(phenylmethyl)phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C19H26ClNO
MOLECULAR WEIGHT: 319.86884
SMILES: CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.Cl
Structure:
CAS RN: 92953-10-1
CAS Name: 4-(4-chlorophenyl)butyl-diethyl-heptylammonium; 4-methylbenzenesulfonate
OPENEYE Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium; 4-methylbenzenesulfonate
IUPAC Name: 4-(4-chlorophenyl)butyl-diethyl-heptylazanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C28H44ClNO3S
MOLECULAR WEIGHT: 510.17186
SMILES: CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 92952-73-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H25ClN2O3
MOLECULAR WEIGHT: 424.9199
SMILES: CCN(CCO)C1=CC=C(C=C1)C2=[N+](C3=C4C2=CC=CC4=C(C=C3)Cl)C.CC(=O)[O-]
Structure:
CAS RN: 92901-05-8
CAS Name: N-(7-bromo-9H-fluoren-2-yl)-N-hydroxyacetamide
OPENEYE Name: N-(7-bromo-9H-fluoren-2-yl)-N-hydroxy-acetamide
IUPAC Name: N-(7-bromo-9H-fluoren-2-yl)-N-hydroxyacetamide
SYSTEMATIC NAME: N-(7-bromanyl-9H-fluoren-2-yl)-N-oxidanyl-ethanamide
MOLECULAR FORMULA: C15H12BrNO2
MOLECULAR WEIGHT: 318.16528
SMILES: CC(=O)N(C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)Br)O
Structure:
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