CAS RN: 91067-75-3
CAS Name: benzoic acid (2,3,4-tribenzoyloxy-5-oxopentyl) ester
OPENEYE Name: (2,3,4-tribenzoyloxy-5-oxo-pentyl) benzoate
IUPAC Name: (2,3,4-tribenzoyloxy-5-oxopentyl) benzoate
SYSTEMATIC NAME: [5-oxidanylidene-2,3,4-tris(phenylcarbonyloxy)pentyl] benzoate
MOLECULAR FORMULA: C33H26O9
MOLECULAR WEIGHT: 566.55414
SMILES: C1=CC=C(C=C1)C(=O)OCC(C(C(C=O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 4196-36-5
CAS Name: 4-nitrobenzoic acid [3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl] ester
OPENEYE Name: [3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl] 4-nitrobenzoate
IUPAC Name: [3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C41H39NO9
MOLECULAR WEIGHT: 689.74966
SMILES: C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
Structure:
CAS RN: 54423-54-0
CAS Name: 4-nitrobenzoic acid [3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl] ester
OPENEYE Name: [3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl] 4-nitrobenzoate
IUPAC Name: [3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C41H39NO9
MOLECULAR WEIGHT: 689.74966
SMILES: C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
Structure:
CAS RN: 17230-39-6
CAS Name: acetic acid (2,3,4,5-tetraacetyloxy-6-methoxycyclohexyl) ester
OPENEYE Name: (2,3,4,5-tetraacetoxy-6-methoxy-cyclohexyl) acetate
IUPAC Name: (2,3,4,5-tetraacetyloxy-6-methoxycyclohexyl) acetate
SYSTEMATIC NAME: (2,3,4,5-tetraacetyloxy-6-methoxy-cyclohexyl) ethanoate
MOLECULAR FORMULA: C17H24O11
MOLECULAR WEIGHT: 404.36586
SMILES: CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC
Structure:
CAS RN: 2936-70-1
CAS Name: 2-(hydroxymethyl)-6-(phenylthio)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-phenylsulfanyl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-phenylsulfanyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H16O5S
MOLECULAR WEIGHT: 272.31744
SMILES: C1=CC=C(C=C1)SC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 76870-87-6
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(2-phenylethoxy)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(2-phenylethoxy)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(2-phenylethoxy)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(2-phenylethoxy)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C22H28O10
MOLECULAR WEIGHT: 452.45172
SMILES: CC(=O)OCC1C(C(C(C(O1)OCCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 1684-29-3
CAS Name: 1,3,4,6-tetrahydroxyhexane-2,5-dione
OPENEYE Name: 1,3,4,6-tetrahydroxyhexane-2,5-dione
IUPAC Name: 1,3,4,6-tetrahydroxyhexane-2,5-dione
SYSTEMATIC NAME: 1,3,4,6-tetrakis(oxidanyl)hexane-2,5-dione
MOLECULAR FORMULA: C6H10O6
MOLECULAR WEIGHT: 178.14
SMILES: C(C(=O)C(C(C(=O)CO)O)O)O
Structure:
CAS RN: 744-05-8
CAS Name: 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C13H24O11
MOLECULAR WEIGHT: 356.32306
SMILES: COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
Structure:
CAS RN: 4651-52-9
CAS Name: acetic acid [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [10,13-dimethyl-17-(1,4,5-trimethylhexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
Structure:
CAS RN: 85706-84-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H40O3
MOLECULAR WEIGHT: 412.6047
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4=CC=C6C5(CCC(C6)O)C)C)C)OC1
Structure:
CAS RN: 64110-65-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H42O4
MOLECULAR WEIGHT: 454.64138
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4=CC=C6C5(CCC(C6)OC(=O)C)C)C)C)OC1
Structure:
CAS RN: 55925-28-5
CAS Name: 17-(3,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
OPENEYE Name: 17-(2,6-dihydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
IUPAC Name: 17-(3,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
SYSTEMATIC NAME: 10,13-dimethyl-17-[6-methyl-3,7-bis(oxidanyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
MOLECULAR FORMULA: C27H46O4
MOLECULAR WEIGHT: 434.65174
SMILES: CC(CCC(C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O)CO
Structure:
CAS RN: 15173-08-7
CAS Name: 2-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propanoic acid methyl ester
OPENEYE Name: methyl 2-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propanoate
IUPAC Name: methyl 2-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propanoate
SYSTEMATIC NAME: methyl 2-(10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propanoate
MOLECULAR FORMULA: C23H36O3
MOLECULAR WEIGHT: 360.53014
SMILES: CC(C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)C(=O)OC
Structure:
CAS RN: 3910-04-1
CAS Name: 4-methyl-7-phenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
OPENEYE Name: 4-methyl-7-phenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
IUPAC Name: 4-methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CC1C=CC(C2C1C(=O)OC2=O)C3=CC=CC=C3
Structure:
CAS RN: 38661-94-8
CAS Name: 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1-cyclopent-2-enone
OPENEYE Name: 4-hydroxy-5,5-dimethyl-3,4-diphenyl-cyclopent-2-en-1-one
IUPAC Name: 4-hydroxy-5,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one
SYSTEMATIC NAME: 5,5-dimethyl-4-oxidanyl-3,4-diphenyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C19H18O2
MOLECULAR WEIGHT: 278.34502
SMILES: CC1(C(=O)C=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C
Structure:
CAS RN: 941-95-7
CAS Name: 2-(hydroxymethyl)-1-phthalazinone
OPENEYE Name: 2-(hydroxymethyl)phthalazin-1-one
IUPAC Name: 2-(hydroxymethyl)phthalazin-1-one
SYSTEMATIC NAME: 2-(hydroxymethyl)phthalazin-1-one
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: C1=CC=C2C(=C1)C=NN(C2=O)CO
Structure:
CAS RN: 1146-28-7
CAS Name: 2,2-dimethyl-1-(1-piperidinyl)-3-spiro[3.5]nonanone
OPENEYE Name: 2,2-dimethyl-1-(1-piperidyl)spiro[3.5]nonan-3-one
IUPAC Name: 2,2-dimethyl-1-piperidin-1-ylspiro[3.5]nonan-3-one
SYSTEMATIC NAME: 2,2-dimethyl-1-piperidin-1-yl-spiro[3.5]nonan-3-one
MOLECULAR FORMULA: C16H27NO
MOLECULAR WEIGHT: 249.39168
SMILES: CC1(C(C2(C1=O)CCCCC2)N3CCCCC3)C
Structure:
CAS RN: 74586-45-1
CAS Name: 1-(1-ethoxyethyl)-2-methylbenzimidazole
OPENEYE Name: 1-(1-ethoxyethyl)-2-methyl-benzimidazole
IUPAC Name: 1-(1-ethoxyethyl)-2-methylbenzimidazole
SYSTEMATIC NAME: 1-(1-ethoxyethyl)-2-methyl-benzimidazole
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CCOC(C)N1C(=NC2=CC=CC=C21)C
Structure:
CAS RN: 790-83-0
CAS Name: 4-[(4-carboxyphenyl)methyl]benzoic acid
OPENEYE Name: 4-[(4-carboxyphenyl)methyl]benzoic acid
IUPAC Name: 4-[(4-carboxyphenyl)methyl]benzoic acid
SYSTEMATIC NAME: 4-[(4-carboxyphenyl)methyl]benzoic acid
MOLECULAR FORMULA: C15H12O4
MOLECULAR WEIGHT: 256.25338
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)C(=O)O)C(=O)O
Structure:
CAS RN: 23053-81-8
CAS Name: 5-chloro-2,4-dimethoxybenzoic acid
OPENEYE Name: 5-chloro-2,4-dimethoxy-benzoic acid
IUPAC Name: 5-chloro-2,4-dimethoxybenzoic acid
SYSTEMATIC NAME: 5-chloranyl-2,4-dimethoxy-benzoic acid
MOLECULAR FORMULA: C9H9ClO4
MOLECULAR WEIGHT: 216.61836
SMILES: COC1=CC(=C(C=C1C(=O)O)Cl)OC
Structure:
CAS RN: 70729-33-8
CAS Name: 2-amino-5-chloro-3-methylbenzenesulfonic acid
OPENEYE Name: 2-amino-5-chloro-3-methyl-benzenesulfonic acid
IUPAC Name: 2-amino-5-chloro-3-methylbenzenesulfonic acid
SYSTEMATIC NAME: 2-azanyl-5-chloranyl-3-methyl-benzenesulfonic acid
MOLECULAR FORMULA: C7H8ClNO3S
MOLECULAR WEIGHT: 221.66132
SMILES: CC1=CC(=CC(=C1N)S(=O)(=O)O)Cl
Structure:
CAS RN: 59690-89-0
CAS Name: N-(4-aminophenyl)propanamide
OPENEYE Name: N-(4-aminophenyl)propanamide
IUPAC Name: N-(4-aminophenyl)propanamide
SYSTEMATIC NAME: N-(4-aminophenyl)propanamide
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CCC(=O)NC1=CC=C(C=C1)N
Structure:
CAS RN: 14040-76-7
CAS Name: N,N'-bis(2-methylpropyl)oxamide
OPENEYE Name: N,N'-diisobutyloxamide
IUPAC Name: N,N'-bis(2-methylpropyl)oxamide
SYSTEMATIC NAME: N,N'-bis(2-methylpropyl)ethanediamide
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CC(C)CNC(=O)C(=O)NCC(C)C
Structure:
CAS RN: 1234-27-1
CAS Name: 4-[[(4-carboxyanilino)-oxomethyl]amino]benzoic acid
OPENEYE Name: 4-[(4-carboxyphenyl)carbamoylamino]benzoic acid
IUPAC Name: 4-[(4-carboxyphenyl)carbamoylamino]benzoic acid
SYSTEMATIC NAME: 4-[(4-carboxyphenyl)carbamoylamino]benzoic acid
MOLECULAR FORMULA: C15H12N2O5
MOLECULAR WEIGHT: 300.26618
SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)NC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 56891-59-9
CAS Name: N-(4-amino-2-methylphenyl)acetamide
OPENEYE Name: N-(4-amino-2-methyl-phenyl)acetamide
IUPAC Name: N-(4-amino-2-methylphenyl)acetamide
SYSTEMATIC NAME: N-(4-azanyl-2-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CC1=C(C=CC(=C1)N)NC(=O)C
Structure:
CAS RN: 2313-81-7
CAS Name: N-[4-(diethylaminoazo)phenyl]acetamide
OPENEYE Name: N-[4-(diethylaminoazo)phenyl]acetamide
IUPAC Name: N-[4-(diethylaminodiazenyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(diethylaminodiazenyl)phenyl]ethanamide
MOLECULAR FORMULA: C12H18N4O
MOLECULAR WEIGHT: 234.29752
SMILES: CCN(CC)N=NC1=CC=C(C=C1)NC(=O)C
Structure:
CAS RN: 2084-62-0
CAS Name: N-[4-(dimethylaminoazo)phenyl]propanamide
OPENEYE Name: N-[4-(dimethylaminoazo)phenyl]propanamide
IUPAC Name: N-[4-(dimethylaminodiazenyl)phenyl]propanamide
SYSTEMATIC NAME: N-[4-(dimethylaminodiazenyl)phenyl]propanamide
MOLECULAR FORMULA: C11H16N4O
MOLECULAR WEIGHT: 220.27094
SMILES: CCC(=O)NC1=CC=C(C=C1)N=NN(C)C
Structure:
CAS RN: 1939-91-9
CAS Name: N-[4-[methyl-(phenylmethyl)amino]azophenyl]acetamide
OPENEYE Name: N-[4-[benzyl(methyl)amino]azophenyl]acetamide
IUPAC Name: N-[4-[[benzyl(methyl)amino]diazenyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[methyl-(phenylmethyl)amino]diazenyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H18N4O
MOLECULAR WEIGHT: 282.34032
SMILES: CC(=O)NC1=CC=C(C=C1)N=NN(C)CC2=CC=CC=C2
Structure:
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