CAS RN: 64566-88-7
CAS Name: phosphoric acid tris(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl) ester
OPENEYE Name: tris(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl) phosphate
IUPAC Name: tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) phosphate
SYSTEMATIC NAME: tris(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl) phosphate
MOLECULAR FORMULA: C27H54N3O7P
MOLECULAR WEIGHT: 563.707321
SMILES: CC1(CC(CC(N1O)(C)C)OP(=O)(OC2CC(N(C(C2)(C)C)O)(C)C)OC3CC(N(C(C3)(C)C)O)(C)C)C
Structure:
CAS RN: 64566-89-8
CAS Name: tris[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)oxy]-sulfanylidenephosphorane
OPENEYE Name: tris[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)oxy]-thioxo-$l^{5}-phosphane
IUPAC Name: tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: sulfanylidene-tris[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy]-$l^{5}-phosphane
MOLECULAR FORMULA: C27H54N3O6PS
MOLECULAR WEIGHT: 579.772921
SMILES: CC1(CC(CC(N1O)(C)C)OP(=S)(OC2CC(N(C(C2)(C)C)O)(C)C)OC3CC(N(C(C3)(C)C)O)(C)C)C
Structure:
CAS RN: 78996-69-7
CAS Name: bis(1-aziridinyl)-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)oxy]-sulfanylidenephosphorane
OPENEYE Name: bis(aziridin-1-yl)-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)oxy]-thioxo-$l^{5}-phosphane
IUPAC Name: bis(aziridin-1-yl)-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(aziridin-1-yl)-sulfanylidene-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-$l^{5}-phosphane
MOLECULAR FORMULA: C13H26N3O2PS
MOLECULAR WEIGHT: 319.403201
SMILES: CC1(CC(CC(N1O)(C)C)OP(=S)(N2CC2)N3CC3)C
Structure:
CAS RN: 2181-33-1
CAS Name: 1-acetyl-4-oxo-3-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-acetyl-4-oxo-pyrrolidine-3-carboxylate
IUPAC Name: ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-ethanoyl-4-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C9H13NO4
MOLECULAR WEIGHT: 199.20382
SMILES: CCOC(=O)C1CN(CC1=O)C(=O)C
Structure:
CAS RN: 59236-36-1
CAS Name: 2-amino-4-methoxybenzaldehyde
OPENEYE Name: 2-amino-4-methoxy-benzaldehyde
IUPAC Name: 2-amino-4-methoxybenzaldehyde
SYSTEMATIC NAME: 2-azanyl-4-methoxy-benzaldehyde
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: COC1=CC(=C(C=C1)C=O)N
Structure:
CAS RN: 70258-75-2
CAS Name: carbonic acid bis(3-formylphenyl) ester
OPENEYE Name: bis(3-formylphenyl) carbonate
IUPAC Name: bis(3-formylphenyl) carbonate
SYSTEMATIC NAME: bis(3-methanoylphenyl) carbonate
MOLECULAR FORMULA: C15H10O5
MOLECULAR WEIGHT: 270.2369
SMILES: C1=CC(=CC(=C1)OC(=O)OC2=CC=CC(=C2)C=O)C=O
Structure:
CAS RN: 54621-33-9
CAS Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl methyl hydrogen phosphate
OPENEYE Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl methyl hydrogen phosphate
IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl methyl hydrogen phosphate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl methyl hydrogen phosphate
MOLECULAR FORMULA: C11H16N5O7P
MOLECULAR WEIGHT: 361.247801
SMILES: COP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O
Structure:
CAS RN: 59772-06-4
CAS Name: 6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid
OPENEYE Name: 3-(4-isopropylphenyl)-6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-heptanoic acid
IUPAC Name: 6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid
SYSTEMATIC NAME: 6,6-dimethyl-2-(4-nitrophenyl)-5-oxidanylidene-3-(4-propan-2-ylphenyl)heptanoic acid
MOLECULAR FORMULA: C24H29NO5
MOLECULAR WEIGHT: 411.49076
SMILES: CC(C)C1=CC=C(C=C1)C(CC(=O)C(C)(C)C)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 59771-90-3
CAS Name: 2-(4-nitrophenyl)-5-oxo-5-phenyl-3-(4-propan-2-ylphenyl)pentanoic acid
OPENEYE Name: 3-(4-isopropylphenyl)-2-(4-nitrophenyl)-5-oxo-5-phenyl-pentanoic acid
IUPAC Name: 2-(4-nitrophenyl)-5-oxo-5-phenyl-3-(4-propan-2-ylphenyl)pentanoic acid
SYSTEMATIC NAME: 2-(4-nitrophenyl)-5-oxidanylidene-5-phenyl-3-(4-propan-2-ylphenyl)pentanoic acid
MOLECULAR FORMULA: C26H25NO5
MOLECULAR WEIGHT: 431.4804
SMILES: CC(C)C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 59771-79-8
CAS Name: 5-oxo-2,5-diphenyl-3-(4-propan-2-ylphenyl)pentanoic acid
OPENEYE Name: 3-(4-isopropylphenyl)-5-oxo-2,5-diphenyl-pentanoic acid
IUPAC Name: 5-oxo-2,5-diphenyl-3-(4-propan-2-ylphenyl)pentanoic acid
SYSTEMATIC NAME: 5-oxidanylidene-2,5-diphenyl-3-(4-propan-2-ylphenyl)pentanoic acid
MOLECULAR FORMULA: C26H26O3
MOLECULAR WEIGHT: 386.48284
SMILES: CC(C)C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 87240-06-0
CAS Name: 7-bromo-5-nitro-2,3-dihydro-1H-indole
OPENEYE Name: 7-bromo-5-nitro-indoline
IUPAC Name: 7-bromo-5-nitro-2,3-dihydro-1H-indole
SYSTEMATIC NAME: 7-bromanyl-5-nitro-2,3-dihydro-1H-indole
MOLECULAR FORMULA: C8H7BrN2O2
MOLECULAR WEIGHT: 243.05738
SMILES: C1CNC2=C(C=C(C=C21)[N+](=O)[O-])Br
Structure:
CAS RN: 93945-52-9
CAS Name: 3-methoxy-2-(4-methylphenyl)sulfonyloxybenzoic acid
OPENEYE Name: 3-methoxy-2-(p-tolylsulfonyloxy)benzoic acid
IUPAC Name: 3-methoxy-2-(4-methylphenyl)sulfonyloxybenzoic acid
SYSTEMATIC NAME: 3-methoxy-2-(4-methylphenyl)sulfonyloxy-benzoic acid
MOLECULAR FORMULA: C15H14O6S
MOLECULAR WEIGHT: 322.33306
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C(=O)O
Structure:
CAS RN: 54756-41-1
CAS Name: 2,6-dimethyl-4-(3-pyridinyl)pyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-dimethyl-4-(3-pyridyl)pyridine-3,5-dicarboxylate
IUPAC Name: diethyl 2,6-dimethyl-4-pyridin-3-ylpyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2,6-dimethyl-4-pyridin-3-yl-pyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C18H20N2O4
MOLECULAR WEIGHT: 328.3624
SMILES: CCOC(=O)C1=C(N=C(C(=C1C2=CN=CC=C2)C(=O)OCC)C)C
Structure:
CAS RN: 1939-53-3
CAS Name: 2-(3-pyridinyl)-4-benzo[h][1]benzopyranone
OPENEYE Name: 2-(3-pyridyl)benzo[h]chromen-4-one
IUPAC Name: 2-pyridin-3-ylbenzo[h]chromen-4-one
SYSTEMATIC NAME: 2-pyridin-3-ylbenzo[h]chromen-4-one
MOLECULAR FORMULA: C18H11NO2
MOLECULAR WEIGHT: 273.28544
SMILES: C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CN=CC=C4
Structure:
CAS RN: 60072-40-4
CAS Name: 3-pyridinecarboxylic acid (2-acetyl-1-naphthalenyl) ester
OPENEYE Name: (2-acetyl-1-naphthyl) pyridine-3-carboxylate
IUPAC Name: (2-acetylnaphthalen-1-yl) pyridine-3-carboxylate
SYSTEMATIC NAME: (2-ethanoylnaphthalen-1-yl) pyridine-3-carboxylate
MOLECULAR FORMULA: C18H13NO3
MOLECULAR WEIGHT: 291.30072
SMILES: CC(=O)C1=C(C2=CC=CC=C2C=C1)OC(=O)C3=CN=CC=C3
Structure:
CAS RN: 36422-60-3
CAS Name: 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: diethyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C22H29NO7
MOLECULAR WEIGHT: 419.46816
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC)C)C
Structure:
CAS RN: 60159-38-8
CAS Name: 4-(1-adamantyl)pyridine
OPENEYE Name: 4-(1-adamantyl)pyridine
IUPAC Name: 4-(1-adamantyl)pyridine
SYSTEMATIC NAME: 4-(1-adamantyl)pyridine
MOLECULAR FORMULA: C15H19N
MOLECULAR WEIGHT: 213.31806
SMILES: C1C2CC3CC1CC(C2)(C3)C4=CC=NC=C4
Structure:
CAS RN: 61104-49-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: CC12CCC(C13CO3)OC4=C2C=C(C=C4)OC
Structure:
CAS RN: 72989-13-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H36N2O5
MOLECULAR WEIGHT: 504.61724
SMILES: CC[C@@H]1C[C@H]2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)COC(=O)C6=CC(=C(C=C6)OC)OC
Structure:
CAS RN: 64490-58-0
CAS Name: 2-bromo-1-(6-iodo-1,3-benzodioxol-5-yl)ethanone
OPENEYE Name: 2-bromo-1-(6-iodo-1,3-benzodioxol-5-yl)ethanone
IUPAC Name: 2-bromo-1-(6-iodo-1,3-benzodioxol-5-yl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(6-iodanyl-1,3-benzodioxol-5-yl)ethanone
MOLECULAR FORMULA: C9H6BrIO3
MOLECULAR WEIGHT: 368.95061
SMILES: C1OC2=C(O1)C=C(C(=C2)C(=O)CBr)I
Structure:
CAS RN: 64490-59-1
CAS Name: 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-[(2-iodo-3,4,5-trimethoxy-phenyl)methyl]propanedioate
IUPAC Name: dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
SYSTEMATIC NAME: dimethyl 2-[(2-iodanyl-3,4,5-trimethoxy-phenyl)methyl]propanedioate
MOLECULAR FORMULA: C15H19IO7
MOLECULAR WEIGHT: 438.21163
SMILES: COC1=C(C(=C(C(=C1)CC(C(=O)OC)C(=O)OC)I)OC)OC
Structure:
CAS RN: 71095-27-7
CAS Name: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanol
OPENEYE Name: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanol
IUPAC Name: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanol
SYSTEMATIC NAME: 1-(6-bromanyl-1,3-benzodioxol-5-yl)ethanol
MOLECULAR FORMULA: C9H9BrO3
MOLECULAR WEIGHT: 245.06996
SMILES: CC(C1=CC2=C(C=C1Br)OCO2)O
Structure:
CAS RN: 64490-46-6
CAS Name: 1-(chloromethyl)-2-iodo-3,4,5-trimethoxybenzene
OPENEYE Name: 1-(chloromethyl)-2-iodo-3,4,5-trimethoxy-benzene
IUPAC Name: 1-(chloromethyl)-2-iodo-3,4,5-trimethoxybenzene
SYSTEMATIC NAME: 1-(chloromethyl)-2-iodanyl-3,4,5-trimethoxy-benzene
MOLECULAR FORMULA: C10H12ClIO3
MOLECULAR WEIGHT: 342.55795
SMILES: COC1=C(C(=C(C(=C1)CCl)I)OC)OC
Structure:
CAS RN: 73252-56-9
CAS Name: 1-(2-bromo-3,4,5-trimethoxyphenyl)-N-cyclohexylmethanimine
OPENEYE Name: 1-(2-bromo-3,4,5-trimethoxy-phenyl)-N-cyclohexyl-methanimine
IUPAC Name: 1-(2-bromo-3,4,5-trimethoxyphenyl)-N-cyclohexylmethanimine
SYSTEMATIC NAME: 1-(2-bromanyl-3,4,5-trimethoxy-phenyl)-N-cyclohexyl-methanimine
MOLECULAR FORMULA: C16H22BrNO3
MOLECULAR WEIGHT: 356.25478
SMILES: COC1=C(C(=C(C(=C1)C=NC2CCCCC2)Br)OC)OC
Structure:
CAS RN: 64490-60-4
CAS Name: 2-[2-(6-iodo-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-[2-(6-iodo-1,3-benzodioxol-5-yl)-2-oxo-ethyl]-2-[(2-iodo-3,4,5-trimethoxy-phenyl)methyl]propanedioate
IUPAC Name: dimethyl 2-[2-(6-iodo-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
SYSTEMATIC NAME: dimethyl 2-[2-(6-iodanyl-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-2-[(2-iodanyl-3,4,5-trimethoxy-phenyl)methyl]propanedioate
MOLECULAR FORMULA: C24H24I2O10
MOLECULAR WEIGHT: 726.2503
SMILES: COC1=C(C(=C(C(=C1)CC(CC(=O)C2=CC3=C(C=C2I)OCO3)(C(=O)OC)C(=O)OC)I)OC)OC
Structure:
CAS RN: 73252-54-7
CAS Name: (2-bromo-3,4,5-trimethoxyphenyl)methanol
OPENEYE Name: (2-bromo-3,4,5-trimethoxy-phenyl)methanol
IUPAC Name: (2-bromo-3,4,5-trimethoxyphenyl)methanol
SYSTEMATIC NAME: (2-bromanyl-3,4,5-trimethoxy-phenyl)methanol
MOLECULAR FORMULA: C10H13BrO4
MOLECULAR WEIGHT: 277.11182
SMILES: COC1=C(C(=C(C(=C1)CO)Br)OC)OC
Structure:
CAS RN: 55815-82-2
CAS Name: 5-(benzenesulfinylmethyl)-1,3-benzodioxole
OPENEYE Name: 5-(benzenesulfinylmethyl)-1,3-benzodioxole
IUPAC Name: 5-(benzenesulfinylmethyl)-1,3-benzodioxole
SYSTEMATIC NAME: 5-(phenylsulfinylmethyl)-1,3-benzodioxole
MOLECULAR FORMULA: C14H12O3S
MOLECULAR WEIGHT: 260.30828
SMILES: C1OC2=C(O1)C=C(C=C2)CS(=O)C3=CC=CC=C3
Structure:
CAS RN: 6258-43-1
CAS Name: 4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3H-benzo[f]isobenzofuran-1-one
OPENEYE Name: 4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3H-benzo[f]isobenzofuran-1-one
IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
MOLECULAR FORMULA: C22H18O7
MOLECULAR WEIGHT: 394.37412
SMILES: COC1=CC2=CC3=C(COC3=O)C(=C2C(=C1OC)OC)C4=CC5=C(C=C4)OCO5
Structure:
CAS RN: 67838-86-2
CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-2-oxolanone
OPENEYE Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]tetrahydrofuran-2-one
IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]oxolan-2-one
SYSTEMATIC NAME: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]oxolan-2-one
MOLECULAR FORMULA: C15H16O4S2
MOLECULAR WEIGHT: 324.41514
SMILES: C1CSC(SC1)(C2CC(=O)OC2)C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 71095-26-6
CAS Name: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanone
OPENEYE Name: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanone
IUPAC Name: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanone
SYSTEMATIC NAME: 1-(6-bromanyl-1,3-benzodioxol-5-yl)ethanone
MOLECULAR FORMULA: C9H7BrO3
MOLECULAR WEIGHT: 243.05408
SMILES: CC(=O)C1=CC2=C(C=C1Br)OCO2
Structure:
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