Product OPENEYE NAME: molybdenum(4+); sulfanide
CAS Name: molybdenum(4+); sulfanide
IUPAC NAME: molybdenum(4+); sulfanide
SYSTEMATIC NAME: molybdenum(4+); sulfanide
MOLECULAR FORMULA: H4MoS4
MOLECULAR WEIGHT: 228.23176
SMILES: [SH-].[SH-].[SH-].[SH-].[Mo+4]
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Product OPENEYE NAME: [[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
CAS Name: [[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxy-2-oxolanyl]methyl hydrogen phosphate
IUPAC NAME: [[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C15H23N5O14P2
MOLECULAR WEIGHT: 559.315742
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O
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Product OPENEYE NAME: ammonium [(2R,3S,5R)-3-acetoxy-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate
CAS Name: ammonium [(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate
IUPAC NAME: azanium [(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate
SYSTEMATIC NAME: azanium [(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl bis[[4-(phenylcarbonyloxy)phenyl]methoxy]phosphoryl phosphate
MOLECULAR FORMULA: C41H40BrN3O16P2
MOLECULAR WEIGHT: 972.618322
SMILES: CC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])OP(=O)(OCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)N6C=C(C(=O)NC6=O)/C=C/Br.[NH4+]
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Product OPENEYE NAME: [4-[[[[(2R,3S,5R)-3-acetoxy-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] benzoate
CAS Name: benzoic acid [4-[[[[(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] ester
IUPAC NAME: [4-[[[[(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] benzoate
SYSTEMATIC NAME: [4-[[[[(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[4-(phenylcarbonyloxy)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] benzoate
MOLECULAR FORMULA: C41H37BrN2O16P2
MOLECULAR WEIGHT: 955.587802
SMILES: CC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(OCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)N6C=C(C(=O)NC6=O)/C=C/Br
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Product OPENEYE NAME: calcium 2-acetamidoacetate
CAS Name: calcium 2-acetamidoacetate
IUPAC NAME: calcium 2-acetamidoacetate
SYSTEMATIC NAME: calcium 2-acetamidoethanoate
MOLECULAR FORMULA: C8H12CaN2O6
MOLECULAR WEIGHT: 272.26868
SMILES: CC(=O)NCC(=O)[O-].CC(=O)NCC(=O)[O-].[Ca+2]
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Product OPENEYE NAME: ammonium [(2S,5R)-5-(2-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate
CAS Name: ammonium [(2S,5R)-5-(2-amino-9-purinyl)-2-oxolanyl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate
IUPAC NAME: azanium [(2S,5R)-5-(2-aminopurin-9-yl)oxolan-2-yl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate
SYSTEMATIC NAME: azanium [(2S,5R)-5-(2-azanylpurin-9-yl)oxolan-2-yl]methyl bis[[4-(phenylcarbonyloxy)phenyl]methoxy]phosphoryl phosphate
MOLECULAR FORMULA: C38H38N6O12P2
MOLECULAR WEIGHT: 832.688842
SMILES: C1C[C@@H](O[C@@H]1COP(=O)([O-])OP(=O)(OCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)N6C=NC7=CN=C(N=C76)N.[NH4+]
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Product OPENEYE NAME: [4-[[[[(2S,5R)-5-(2-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] benzoate
CAS Name: benzoic acid [4-[[[[(2S,5R)-5-(2-amino-9-purinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] ester
IUPAC NAME: [4-[[[[(2S,5R)-5-(2-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] benzoate
SYSTEMATIC NAME: [4-[[[[(2S,5R)-5-(2-azanylpurin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[4-(phenylcarbonyloxy)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] benzoate
MOLECULAR FORMULA: C38H35N5O12P2
MOLECULAR WEIGHT: 815.658322
SMILES: C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(OCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)N6C=NC7=CN=C(N=C76)N
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Product OPENEYE NAME: 2-(6-aminopurin-9-yl)ethoxymethyl-[bis[(4-isobutoxyphenyl)methoxy]phosphoryloxy]phosphinic acid
CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[bis[[4-(2-methylpropoxy)phenyl]methoxy]phosphoryloxy]phosphinic acid
IUPAC NAME: 2-(6-aminopurin-9-yl)ethoxymethyl-[bis[[4-(2-methylpropoxy)phenyl]methoxy]phosphoryloxy]phosphinic acid
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)ethoxymethyl-[bis[[4-(2-methylpropoxy)phenyl]methoxy]phosphoryloxy]phosphinic acid
MOLECULAR FORMULA: C30H41N5O9P2
MOLECULAR WEIGHT: 677.622162
SMILES: CC(C)COC1=CC=C(C=C1)COP(=O)(OCC2=CC=C(C=C2)OCC(C)C)OP(=O)(COCCN3C=NC4=C3N=CN=C4N)O
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Product OPENEYE NAME: 2-[3-acetamido-2,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-4-yl]oxyacetic acid
CAS Name: 2-[[3-acetamido-2,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-oxanyl]oxy]acetic acid
IUPAC NAME: 2-[3-acetamido-2,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]oxyacetic acid
SYSTEMATIC NAME: 2-[3-acetamido-2,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]oxyethanoic acid
MOLECULAR FORMULA: C31H35NO8
MOLECULAR WEIGHT: 549.6115
SMILES: CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC(=O)O
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Product OPENEYE NAME: 4-[2-[[2-[2-[[4-[[(4aR,6aR)-8-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11-tetradecahydrochrysen-2-yl]oxy]-4-oxo-butanoyl]oxymethyl]-5-acetamido-3,6-dihydroxy-tetrahydropyran-4-yl]oxyacetyl]amino]butanoylamino]-5-amino-5-oxo-
CAS Name: 4-[[2-[[2-[[2-[[4-[[(4aR,6aR)-4a,6a-dimethyl-8-[(2R)-6-methylheptan-2-yl]-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11-tetradecahydrochrysen-2-yl]oxy]-1,4-dioxobutoxy]methyl]-5-acetamido-3,6-dihydroxy-4-oxanyl]oxy]-1-oxoethyl]amino]-1-oxobutyl]amino]-5-amino-5-oxop
IUPAC NAME: 4-[2-[[2-[2-[[4-[[(4aR,6aR)-4a,6a-dimethyl-8-[(2R)-6-methylheptan-2-yl]-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11-tetradecahydrochrysen-2-yl]oxy]-4-oxobutanoyl]oxymethyl]-5-acetamido-3,6-dihydroxyoxan-4-yl]oxyacetyl]amino]butanoylamino]-5-amino-5-oxopentanoic ac
SYSTEMATIC NAME: 4-[2-[2-[2-[[4-[[(4aR,6aR)-4a,6a-dimethyl-8-[(2R)-6-methylheptan-2-yl]-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11-tetradecahydrochrysen-2-yl]oxy]-4-oxidanylidene-butanoyl]oxymethyl]-5-acetamido-3,6-bis(oxidanyl)oxan-4-yl]oxyethanoylamino]butanoylamino]-5-azanyl-5
MOLECULAR FORMULA: C51H82N4O14
MOLECULAR WEIGHT: 975.21518
SMILES: CCC(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)COC1C(C(OC(C1O)COC(=O)CCC(=O)OC2CC[C@@]3(C4CC[C@@]5(CC(CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C)O)NC(=O)C
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Product OPENEYE NAME: 7-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl)-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-quinoline-3-carboxylic acid
CAS Name: 7-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl)-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 7-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl)-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl)-8-[bis(fluoranyl)methoxy]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C21H23F2N3O4
MOLECULAR WEIGHT: 419.421826
SMILES: C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)C4CC5CNCCN5C4)OC(F)F)C(=O)O
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Product OPENEYE NAME: 1-cyclopropyl-8-(difluoromethoxy)-7-(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-8-(difluoromethoxy)-7-(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C22H21F2N3O4
MOLECULAR WEIGHT: 429.416646
SMILES: CN1CCN2C=C(C=C2C1)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F
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Product OPENEYE NAME: 1-cyclopropyl-8-(difluoromethoxy)-7-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-8-(difluoromethoxy)-7-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C22H25F2N3O4
MOLECULAR WEIGHT: 433.448406
SMILES: CN1CCN2CC(CC2C1)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F
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Product OPENEYE NAME: 7-[(3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl]-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-quinoline-3-carboxylic acid
CAS Name: 7-[(3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl]-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 7-[(3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl]-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-[(3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl]-8-[bis(fluoranyl)methoxy]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C22H25F2N3O4
MOLECULAR WEIGHT: 433.448406
SMILES: C[C@H]1CN2CC(C[C@H]2CN1)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F
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Product OPENEYE NAME: 1-cyclopropyl-8-(difluoromethoxy)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-8-(difluoromethoxy)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C22H21F2N3O4
MOLECULAR WEIGHT: 429.416646
SMILES: C[C@H]1CN2C=C(C=C2CN1)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F
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Product OPENEYE NAME: 1-cyclopropyl-8-(difluoromethoxy)-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-8-(difluoromethoxy)-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C22H21F2N3O4
MOLECULAR WEIGHT: 429.416646
SMILES: C[C@H]1C2=CC(=CN2CCN1)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H12Cl3N3O2
MOLECULAR WEIGHT: 396.65508
SMILES: CC1=C(C=CC(=C1)Cl)OCC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[(7-methylindan-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C20H17Cl2N3O2
MOLECULAR WEIGHT: 402.27388
SMILES: CC1=C2CCCC2=C(C=C1)OCC3=NNC(=C4C=C(C(=O)C(=C4)Cl)Cl)C=N3
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