CAS RN: 7596-82-9
CAS Name: 3-(1-piperidinylmethyl)benzoic acid
OPENEYE Name: 3-(1-piperidylmethyl)benzoic acid
IUPAC Name: 3-(piperidin-1-ylmethyl)benzoic acid
SYSTEMATIC NAME: 3-(piperidin-1-ylmethyl)benzoic acid
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C1CCN(CC1)CC2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 5756-05-8
CAS Name: N-diphenoxyphosphoryl-1-butanamine
OPENEYE Name: N-diphenoxyphosphorylbutan-1-amine
IUPAC Name: N-diphenoxyphosphorylbutan-1-amine
SYSTEMATIC NAME: N-diphenoxyphosphorylbutan-1-amine
MOLECULAR FORMULA: C16H20NO3P
MOLECULAR WEIGHT: 305.308661
SMILES: CCCCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Structure:
CAS RN: 871-30-7
CAS Name: iodo(iodomercuriomethyl)mercury
OPENEYE Name: iodo(iodomercuriomethyl)mercury
IUPAC Name: iodo(iodomercuriomethyl)mercury
SYSTEMATIC NAME: iodanyl(iodanylmercuriomethyl)mercury
MOLECULAR FORMULA: CH2Hg2I2
MOLECULAR WEIGHT: 669.01552
SMILES: C([Hg]I)[Hg]I
Structure:
CAS RN: 5444-72-4
CAS Name: 2-chloro-9-phenyl-N-(2-phenylethyl)-6-purinamine
OPENEYE Name: 2-chloro-9-phenyl-N-(2-phenylethyl)purin-6-amine
IUPAC Name: 2-chloro-9-phenyl-N-(2-phenylethyl)purin-6-amine
SYSTEMATIC NAME: 2-chloranyl-9-phenyl-N-(2-phenylethyl)purin-6-amine
MOLECULAR FORMULA: C19H16ClN5
MOLECULAR WEIGHT: 349.81684
SMILES: C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4=CC=CC=C4)Cl
Structure:
CAS RN: 5453-03-2
CAS Name: 3-benzoyl-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 3-benzoyl-2-phenyl-chromen-4-one
IUPAC Name: 3-benzoyl-2-phenylchromen-4-one
SYSTEMATIC NAME: 2-phenyl-3-(phenylcarbonyl)chromen-4-one
MOLECULAR FORMULA: C22H14O3
MOLECULAR WEIGHT: 326.34476
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 5452-38-0
CAS Name: 2-cycloheptyl-2-phenylpropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-cycloheptyl-2-phenyl-propanedioate
IUPAC Name: diethyl 2-cycloheptyl-2-phenylpropanedioate
SYSTEMATIC NAME: diethyl 2-cycloheptyl-2-phenyl-propanedioate
MOLECULAR FORMULA: C20H28O4
MOLECULAR WEIGHT: 332.43392
SMILES: CCOC(=O)C(C1CCCCCC1)(C2=CC=CC=C2)C(=O)OCC
Structure:
CAS RN: 5452-92-6
CAS Name: 2-cycloheptyl-2-(1-piperidinyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-cycloheptyl-2-(1-piperidyl)propanedioate
IUPAC Name: diethyl 2-cycloheptyl-2-piperidin-1-ylpropanedioate
SYSTEMATIC NAME: diethyl 2-cycloheptyl-2-piperidin-1-yl-propanedioate
MOLECULAR FORMULA: C19H33NO4
MOLECULAR WEIGHT: 339.46962
SMILES: CCOC(=O)C(C1CCCCCC1)(C(=O)OCC)N2CCCCC2
Structure:
CAS RN: 5452-90-4
CAS Name: 2-cyclopentyl-2-phenylpropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-cyclopentyl-2-phenyl-propanedioate
IUPAC Name: diethyl 2-cyclopentyl-2-phenylpropanedioate
SYSTEMATIC NAME: diethyl 2-cyclopentyl-2-phenyl-propanedioate
MOLECULAR FORMULA: C18H24O4
MOLECULAR WEIGHT: 304.38076
SMILES: CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)C(=O)OCC
Structure:
CAS RN: 5452-86-8
CAS Name: 2-hydroxy-10H-anthracen-9-one
OPENEYE Name: 2-hydroxy-10H-anthracen-9-one
IUPAC Name: 2-hydroxy-10H-anthracen-9-one
SYSTEMATIC NAME: 2-oxidanyl-10H-anthracen-9-one
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1C2=C(C=C(C=C2)O)C(=O)C3=CC=CC=C31
Structure:
CAS RN: 5452-34-6
CAS Name: 10,10-bis(phenylmethyl)-9-anthracenone
OPENEYE Name: 10,10-dibenzylanthracen-9-one
IUPAC Name: 10,10-dibenzylanthracen-9-one
SYSTEMATIC NAME: 10,10-bis(phenylmethyl)anthracen-9-one
MOLECULAR FORMULA: C28H22O
MOLECULAR WEIGHT: 374.47368
SMILES: C1=CC=C(C=C1)CC2(C3=CC=CC=C3C(=O)C4=CC=CC=C42)CC5=CC=CC=C5
Structure:
CAS RN: 6966-19-4
CAS Name: 4-[(4-sulfophenyl)thio]benzenesulfonic acid
OPENEYE Name: 4-(4-sulfophenyl)sulfanylbenzenesulfonic acid
IUPAC Name: 4-(4-sulfophenyl)sulfanylbenzenesulfonic acid
SYSTEMATIC NAME: 4-(4-sulfophenyl)sulfanylbenzenesulfonic acid
MOLECULAR FORMULA: C12H10O6S3
MOLECULAR WEIGHT: 346.3992
SMILES: C1=CC(=CC=C1SC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 7145-02-0
CAS Name: chloro-(4,5,6-trichloro-1-benzimidazolyl)mercury
OPENEYE Name: chloro-(4,5,6-trichlorobenzimidazol-1-yl)mercury
IUPAC Name: chloro-(4,5,6-trichlorobenzimidazol-1-yl)mercury
SYSTEMATIC NAME: chloranyl-[4,5,6-tris(chloranyl)benzimidazol-1-yl]mercury
MOLECULAR FORMULA: C7H2Cl4HgN2
MOLECULAR WEIGHT: 456.50618
SMILES: C1=C2C(=C(C(=C1Cl)Cl)Cl)N=CN2[Hg]Cl
Structure:
CAS RN: 5432-34-8
CAS Name: 3-[8,13-dibromo-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[8,13-dibromo-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
IUPAC Name: methyl 3-[8,13-dibromo-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[8,13-bis(bromanyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C32H32Br2N4O4
MOLECULAR WEIGHT: 696.42888
SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)Br)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)Br
Structure:
CAS RN: 5462-49-7
CAS Name: 2-(3-pyridinyl)acetohydrazide
OPENEYE Name: 2-(3-pyridyl)acetohydrazide
IUPAC Name: 2-pyridin-3-ylacetohydrazide
SYSTEMATIC NAME: 2-pyridin-3-ylethanehydrazide
MOLECULAR FORMULA: C7H9N3O
MOLECULAR WEIGHT: 151.16586
SMILES: C1=CC(=CN=C1)CC(=O)NN
Structure:
CAS RN: 35906-51-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H51NO16
MOLECULAR WEIGHT: 825.85144
SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)OC6CC7C(C(O6)C)OC8C(O7)CC(=O)C(O8)C)N(C)C)O
Structure:
CAS RN: 6345-23-9
CAS Name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) dihydrogen phosphate
OPENEYE Name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) dihydrogen phosphate
IUPAC Name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) dihydrogen phosphate
SYSTEMATIC NAME: (13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) dihydrogen phosphate
MOLECULAR FORMULA: C18H25O5P
MOLECULAR WEIGHT: 352.361861
SMILES: CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 6636-70-0
CAS Name: 1,5-dihydroxy-2-[hydroxy(sulfo)methyl]-2-pentene-1,5-disulfonic acid
OPENEYE Name: 1,5-dihydroxy-2-[hydroxy(sulfo)methyl]pent-2-ene-1,5-disulfonic acid
IUPAC Name: 1,5-dihydroxy-2-[hydroxy(sulfo)methyl]pent-2-ene-1,5-disulfonic acid
SYSTEMATIC NAME: 1,5-bis(oxidanyl)-2-[oxidanyl(sulfo)methyl]pent-2-ene-1,5-disulfonic acid
MOLECULAR FORMULA: C6H12O12S3
MOLECULAR WEIGHT: 372.34728
SMILES: C(C=C(C(O)S(=O)(=O)O)C(O)S(=O)(=O)O)C(O)S(=O)(=O)O
Structure:
CAS RN: 5450-95-3
CAS Name: 1,3-dihydroxypropane-1,3-disulfonic acid
OPENEYE Name: 1,3-dihydroxypropane-1,3-disulfonic acid
IUPAC Name: 1,3-dihydroxypropane-1,3-disulfonic acid
SYSTEMATIC NAME: 1,3-bis(oxidanyl)propane-1,3-disulfonic acid
MOLECULAR FORMULA: C3H8O8S2
MOLECULAR WEIGHT: 236.22082
SMILES: C(C(O)S(=O)(=O)O)C(O)S(=O)(=O)O
Structure:
CAS RN: 5449-04-7
CAS Name: N-[ethoxy(phenoxy)phosphoryl]aniline
OPENEYE Name: N-[ethoxy(phenoxy)phosphoryl]aniline
IUPAC Name: N-[ethoxy(phenoxy)phosphoryl]aniline
SYSTEMATIC NAME: N-[ethoxy(phenoxy)phosphoryl]aniline
MOLECULAR FORMULA: C14H16NO3P
MOLECULAR WEIGHT: 277.255501
SMILES: CCOP(=O)(NC1=CC=CC=C1)OC2=CC=CC=C2
Structure:
CAS RN: 6297-39-8
CAS Name: 4-[2-[(3,4-dichlorophenyl)methylthio]ethyl]pyridine
OPENEYE Name: 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]pyridine
IUPAC Name: 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]pyridine
SYSTEMATIC NAME: 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]pyridine
MOLECULAR FORMULA: C14H13Cl2NS
MOLECULAR WEIGHT: 298.23072
SMILES: C1=CC(=C(C=C1CSCCC2=CC=NC=C2)Cl)Cl
Structure:
CAS RN: 5448-01-1
CAS Name: (2,3-diphenyl-1-indolyl)-phenylmethanone
OPENEYE Name: (2,3-diphenylindol-1-yl)-phenyl-methanone
IUPAC Name: (2,3-diphenylindol-1-yl)-phenylmethanone
SYSTEMATIC NAME: (2,3-diphenylindol-1-yl)-phenyl-methanone
MOLECULAR FORMULA: C27H19NO
MOLECULAR WEIGHT: 373.44586
SMILES: C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)C(=O)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5447-06-3
CAS Name: 1,2-bis[3,4-bis(phenylmethoxy)phenyl]ethane-1,2-dione
OPENEYE Name: 1,2-bis(3,4-dibenzyloxyphenyl)ethane-1,2-dione
IUPAC Name: 1,2-bis[3,4-bis(phenylmethoxy)phenyl]ethane-1,2-dione
SYSTEMATIC NAME: 1,2-bis[3,4-bis(phenylmethoxy)phenyl]ethane-1,2-dione
MOLECULAR FORMULA: C42H34O6
MOLECULAR WEIGHT: 634.71576
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)C(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
Structure:
CAS RN: 8053-18-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C82H126N2O29
MOLECULAR WEIGHT: 1603.87384
SMILES: CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O.CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(C(C)O)O)O)C)OC(=O)C)OC(=O)C)O)O
Structure:
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