CAS RN: 12208-54-7
CAS Name: hexaammonium dioxido(dioxo)tungsten hexahydrate
OPENEYE Name: hexaammonium dioxido(dioxo)tungsten hexahydrate
IUPAC Name: hexaazanium dioxido(dioxo)tungsten hexahydrate
SYSTEMATIC NAME: hexaazanium bis(oxidanidyl)-bis(oxidanylidene)tungsten hexahydrate
MOLECULAR FORMULA: H36N6O18W3
MOLECULAR WEIGHT: 959.83524
SMILES: [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.O.O.[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-]
Structure:
CAS RN: 152-22-7
CAS Name: triethyl(2-hydroxyethyl)ammonium chloride
OPENEYE Name: triethyl(2-hydroxyethyl)ammonium chloride
IUPAC Name: triethyl(2-hydroxyethyl)azanium chloride
SYSTEMATIC NAME: triethyl(2-hydroxyethyl)azanium chloride
MOLECULAR FORMULA: C8H20ClNO
MOLECULAR WEIGHT: 181.7035
SMILES: CC[N+](CC)(CC)CCO.[Cl-]
Structure:
CAS RN: 173903-27-0
CAS Name: 3-acetyl-5-methyl-4-oxo-2-furanolate; (5S)-3-acetyl-5-methyl-4-oxo-2-furanolate; cyclohexane-1,2-diamine; platinum(2+)
OPENEYE Name: 3-acetyl-5-methyl-4-oxo-furan-2-olate; (5S)-3-acetyl-5-methyl-4-oxo-furan-2-olate; cyclohexane-1,2-diamine; platinum(2+)
IUPAC Name: 3-acetyl-5-methyl-4-oxofuran-2-olate; (5S)-3-acetyl-5-methyl-4-oxofuran-2-olate; cyclohexane-1,2-diamine; platinum(2+)
SYSTEMATIC NAME: cyclohexane-1,2-diamine; 3-ethanoyl-5-methyl-4-oxidanylidene-furan-2-olate; (5S)-3-ethanoyl-5-methyl-4-oxidanylidene-furan-2-olate; platinum(2+)
MOLECULAR FORMULA: C20H28N2O8Pt
MOLECULAR WEIGHT: 619.52292
SMILES: C[C@H]1C(=O)C(=C(O1)[O-])C(=O)C.CC1C(=O)C(=C(O1)[O-])C(=O)C.C1CCC(C(C1)N)N.[Pt+2]
Structure:
CAS RN: 170653-88-0
CAS Name: acetic acid [1-(2-oxo-1-pyrrolidinyl)-3-(4-phenyl-1-piperazinyl)propan-2-yl] ester
OPENEYE Name: [1-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethyl] acetate
IUPAC Name: [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] acetate
SYSTEMATIC NAME: [1-(2-oxidanylidenepyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] ethanoate
MOLECULAR FORMULA: C19H27N3O3
MOLECULAR WEIGHT: 345.43598
SMILES: CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)CN3CCCC3=O
Structure:
CAS RN: 163130-28-7
CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-butanone
OPENEYE Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one
IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one
SYSTEMATIC NAME: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: CCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 156998-80-0
CAS Name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-phenylmethoxy-2-purinyl]acetamide
OPENEYE Name: N-[6-benzyloxy-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]acetamide
IUPAC Name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-phenylmethoxypurin-2-yl]acetamide
SYSTEMATIC NAME: N-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-phenylmethoxy-purin-2-yl]ethanamide
MOLECULAR FORMULA: C19H21N5O6
MOLECULAR WEIGHT: 415.39994
SMILES: CC(=O)NC1=NC2=C(C(=N1)OCC3=CC=CC=C3)N=CN2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 156620-48-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H53N15O9S6
MOLECULAR WEIGHT: 1200.44092
SMILES: CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C(=O)NC(CO)C(=O)N8CCCC8C(=O)N)C9=NC(=CS9)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C
Structure:
CAS RN: 156620-47-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H50N14O9S6
MOLECULAR WEIGHT: 1183.4104
SMILES: CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C(=O)OCC8C(=O)N9CCCC9C(=O)N8)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C
Structure:
CAS RN: 156620-46-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H42N12O7S6
MOLECULAR WEIGHT: 1031.25978
SMILES: CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C(=O)OC)C8=NC(=CS8)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C
Structure:
CAS RN: 153667-41-5
CAS Name: (2R)-1-(2-bromoethylamino)-3-(2-nitro-1-imidazolyl)-2-propanol hydrobromide
OPENEYE Name: (2R)-1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
IUPAC Name: (2R)-1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
SYSTEMATIC NAME: (2R)-1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
MOLECULAR FORMULA: C8H14Br2N4O3
MOLECULAR WEIGHT: 374.02976
SMILES: C1=CN(C(=N1)[N+](=O)[O-])C[C@@H](CNCCBr)O.Br
Structure:
CAS RN: 152741-89-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H51N15O8S6
MOLECULAR WEIGHT: 1182.42564
SMILES: CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C8=NC(CO8)C(=O)N9CCCC9C(=O)N)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C
Structure:
CAS RN: 152175-75-2
CAS Name: 1,7,9,11-tetrahydroxy-3-pentylbenzo[a]tetracene-8,13-dione
OPENEYE Name: 1,7,9,11-tetrahydroxy-3-pentyl-benzo[a]tetracene-8,13-dione
IUPAC Name: 1,7,9,11-tetrahydroxy-3-pentylbenzo[a]tetracene-8,13-dione
SYSTEMATIC NAME: 1,7,9,11-tetrakis(oxidanyl)-3-pentyl-benzo[a]tetracene-8,13-dione
MOLECULAR FORMULA: C27H22O6
MOLECULAR WEIGHT: 442.45998
SMILES: CCCCCC1=CC(=C2C(=C1)C=CC3=C(C4=C(C=C32)C(=O)C5=CC(=CC(=C5C4=O)O)O)O)O
Structure:
CAS RN: 152175-74-1
CAS Name: 1,7,9,11-tetrahydroxy-8,13-dioxo-3-pentyl-2-benzo[a]tetracenecarboxylic acid
OPENEYE Name: 1,7,9,11-tetrahydroxy-8,13-dioxo-3-pentyl-benzo[a]tetracene-2-carboxylic acid
IUPAC Name: 1,7,9,11-tetrahydroxy-8,13-dioxo-3-pentylbenzo[a]tetracene-2-carboxylic acid
SYSTEMATIC NAME: 1,7,9,11-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-3-pentyl-benzo[a]tetracene-2-carboxylic acid
MOLECULAR FORMULA: C28H22O8
MOLECULAR WEIGHT: 486.46948
SMILES: CCCCCC1=C(C(=C2C(=C1)C=CC3=C(C4=C(C=C32)C(=O)C5=CC(=CC(=C5C4=O)O)O)O)O)C(=O)O
Structure:
CAS RN: 151378-33-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14O3
MOLECULAR WEIGHT: 302.32336
SMILES: C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C5=C(C=C4)C(C(C6C5O6)O)O
Structure:
CAS RN: 151378-34-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14O3
MOLECULAR WEIGHT: 302.32336
SMILES: C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C5=C(C=C4)C(C(C6C5O6)O)O
Structure:
CAS RN: 151378-31-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14O3
MOLECULAR WEIGHT: 302.32336
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C5C36C(O6)C(C(C5=CC=C4)O)O
Structure:
CAS RN: 151378-32-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14O3
MOLECULAR WEIGHT: 302.32336
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C5C36C(O6)C(C(C5=CC=C4)O)O
Structure:
CAS RN: 151233-04-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N2O15
MOLECULAR WEIGHT: 842.92502
SMILES: CC1C(C(C(C(O1)OC2C(OC(CC2(C)N)OC3C(C(C4OC5=C(C3(O4)C)C=CC6=C5C(=O)C7=C(C8=C(CC(C(C8)OC)(C)O)C=C7C6=O)O)O)N(C)C)C)OC)(C)O)O
Structure:
CAS RN: 151013-38-6
CAS Name: 1,6,7,9,11-pentahydroxy-3-pentyl-5,6-dihydrobenzo[a]tetracene-8,13-dione
OPENEYE Name: 1,6,7,9,11-pentahydroxy-3-pentyl-5,6-dihydrobenzo[a]tetracene-8,13-dione
IUPAC Name: 1,6,7,9,11-pentahydroxy-3-pentyl-5,6-dihydrobenzo[a]tetracene-8,13-dione
SYSTEMATIC NAME: 1,6,7,9,11-pentakis(oxidanyl)-3-pentyl-5,6-dihydrobenzo[a]tetracene-8,13-dione
MOLECULAR FORMULA: C27H24O7
MOLECULAR WEIGHT: 460.47526
SMILES: CCCCCC1=CC(=C2C(=C1)CC(C3=C(C4=C(C=C32)C(=O)C5=CC(=CC(=C5C4=O)O)O)O)O)O
Structure:
CAS RN: 151013-37-5
CAS Name: 1,6,7,9,11-pentahydroxy-8,13-dioxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
OPENEYE Name: 1,6,7,9,11-pentahydroxy-8,13-dioxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
IUPAC Name: 1,6,7,9,11-pentahydroxy-8,13-dioxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
SYSTEMATIC NAME: 1,6,7,9,11-pentakis(oxidanyl)-8,13-bis(oxidanylidene)-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
MOLECULAR FORMULA: C28H24O9
MOLECULAR WEIGHT: 504.48476
SMILES: CCCCCC1=C(C(=C2C(=C1)CC(C3=C(C4=C(C=C32)C(=O)C5=CC(=CC(=C5C4=O)O)O)O)O)O)C(=O)O
Structure:
CAS RN: 149455-36-7
CAS Name: 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)-2-naphthalenecarbonitrile
OPENEYE Name: 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridyl)naphthalene-2-carbonitrile
IUPAC Name: 6,6-dimethyl-5-oxo-8-(2-oxopyridin-1-yl)naphthalene-2-carbonitrile
SYSTEMATIC NAME: 6,6-dimethyl-5-oxidanylidene-8-(2-oxidanylidenepyridin-1-yl)naphthalene-2-carbonitrile
MOLECULAR FORMULA: C18H14N2O2
MOLECULAR WEIGHT: 290.31596
SMILES: CC1(C=C(C2=C(C1=O)C=CC(=C2)C#N)N3C=CC=CC3=O)C
Structure:
CAS RN: 149338-09-0
CAS Name: N-(4-fluorophenyl)-2-nitro-1-benzothiophen-3-amine
OPENEYE Name: N-(4-fluorophenyl)-2-nitro-benzothiophen-3-amine
IUPAC Name: N-(4-fluorophenyl)-2-nitro-1-benzothiophen-3-amine
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-nitro-1-benzothiophen-3-amine
MOLECULAR FORMULA: C14H9FN2O2S
MOLECULAR WEIGHT: 288.296863
SMILES: C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])NC3=CC=C(C=C3)F
Structure:
CAS RN: 149338-08-9
CAS Name: N-(3-chlorophenyl)-2-nitro-1-benzothiophen-3-amine
OPENEYE Name: N-(3-chlorophenyl)-2-nitro-benzothiophen-3-amine
IUPAC Name: N-(3-chlorophenyl)-2-nitro-1-benzothiophen-3-amine
SYSTEMATIC NAME: N-(3-chlorophenyl)-2-nitro-1-benzothiophen-3-amine
MOLECULAR FORMULA: C14H9ClN2O2S
MOLECULAR WEIGHT: 304.75146
SMILES: C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])NC3=CC(=CC=C3)Cl
Structure:
CAS RN: 149338-07-8
CAS Name: N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine
OPENEYE Name: N-(4-chlorophenyl)-2-nitro-benzothiophen-3-amine
IUPAC Name: N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine
MOLECULAR FORMULA: C14H9ClN2O2S
MOLECULAR WEIGHT: 304.75146
SMILES: C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])NC3=CC=C(C=C3)Cl
Structure:
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