CAS RN: 101062-85-5
CAS Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-[(1,3-dioxo-5-isobenzofuranyl)-oxomethyl]isobenzofuran-1,3-dione
OPENEYE Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxoisobenzofuran-5-carbonyl)isobenzofuran-1,3-dione
IUPAC Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-(4-azanylphenoxy)aniline; benzene-1,3-diamine; 5-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]carbonyl]-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C35H26N4O8
MOLECULAR WEIGHT: 630.60294
SMILES: C1=CC(=CC(=C1)N)N.C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
Structure:
CAS RN: 124056-99-1
CAS Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-[(1,3-dioxo-5-isobenzofuranyl)-oxomethyl]isobenzofuran-1,3-dione
OPENEYE Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxoisobenzofuran-5-carbonyl)isobenzofuran-1,3-dione
IUPAC Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-(4-azanylphenoxy)aniline; benzene-1,3-diamine; 5-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]carbonyl]-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C35H26N4O8
MOLECULAR WEIGHT: 630.60294
SMILES: C1=CC(=CC(=C1)N)N.C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
Structure:
CAS RN: 158164-03-5
CAS Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-[(1,3-dioxo-5-isobenzofuranyl)-oxomethyl]isobenzofuran-1,3-dione
OPENEYE Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxoisobenzofuran-5-carbonyl)isobenzofuran-1,3-dione
IUPAC Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-(4-azanylphenoxy)aniline; benzene-1,3-diamine; 5-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]carbonyl]-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C35H26N4O8
MOLECULAR WEIGHT: 630.60294
SMILES: C1=CC(=CC(=C1)N)N.C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
Structure:
CAS RN: 31942-21-9
CAS Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-[(1,3-dioxo-5-isobenzofuranyl)-oxomethyl]isobenzofuran-1,3-dione
OPENEYE Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxoisobenzofuran-5-carbonyl)isobenzofuran-1,3-dione
IUPAC Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-(4-azanylphenoxy)aniline; benzene-1,3-diamine; 5-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]carbonyl]-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C35H26N4O8
MOLECULAR WEIGHT: 630.60294
SMILES: C1=CC(=CC(=C1)N)N.C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
Structure:
CAS RN: 31927-64-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H14
MOLECULAR WEIGHT: 290.35726
SMILES: CC1=C2C=CC3=C4C2=C5C(=CC4=CC=C3)C=CC6=C5C1=CC=C6
Structure:
CAS RN: 36959-08-7
CAS Name: [(1S,2R)-2-ethylcyclopropyl]methanol
OPENEYE Name: [(1S,2R)-2-ethylcyclopropyl]methanol
IUPAC Name: [(1S,2R)-2-ethylcyclopropyl]methanol
SYSTEMATIC NAME: [(1S,2R)-2-ethylcyclopropyl]methanol
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC[C@@H]1C[C@@H]1CO
Structure:
CAS RN: 31904-18-4
CAS Name: 1,2-dichloro-3-(trichloromethyl)benzene
OPENEYE Name: 1,2-dichloro-3-(trichloromethyl)benzene
IUPAC Name: 1,2-dichloro-3-(trichloromethyl)benzene
SYSTEMATIC NAME: 1,2-bis(chloranyl)-3-(trichloromethyl)benzene
MOLECULAR FORMULA: C7H3Cl5
MOLECULAR WEIGHT: 264.36372
SMILES: C1=CC(=C(C(=C1)Cl)Cl)C(Cl)(Cl)Cl
Structure:
CAS RN: 31828-50-9
CAS Name: (6R,7R)-7-[[2-amino-2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
OPENEYE Name: (6R,7R)-7-[(2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
IUPAC Name: (6R,7R)-7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
SYSTEMATIC NAME: (6R,7R)-7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
MOLECULAR FORMULA: C16H23N3O6S
MOLECULAR WEIGHT: 385.43532
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O.O.O
Structure:
CAS RN: 54-62-6
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H20N8O5
MOLECULAR WEIGHT: 440.4127
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 58602-66-7
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H20N8O5
MOLECULAR WEIGHT: 440.4127
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 120382-78-7
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H20N8O5
MOLECULAR WEIGHT: 440.4127
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 64801-55-4
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H20N8O5
MOLECULAR WEIGHT: 440.4127
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 58602-66-7
CAS Name: disodium (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioate
OPENEYE Name: disodium (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
IUPAC Name: disodium (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: disodium (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C19H18N8Na2O5
MOLECULAR WEIGHT: 484.37636
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.[Na+].[Na+]
Structure:
CAS RN: 31823-54-8
CAS Name: disodium (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioate
OPENEYE Name: disodium (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
IUPAC Name: disodium (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: disodium (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C19H18N8Na2O5
MOLECULAR WEIGHT: 484.37636
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.[Na+].[Na+]
Structure:
CAS RN: 36856-91-4
CAS Name: 3-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 3-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 3-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 3-(2-hydroxyethyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C7H8N2O5
MOLECULAR WEIGHT: 200.14882
SMILES: C1=C(NC(=O)N(C1=O)CCO)C(=O)O
Structure:
CAS RN: 129742-92-3
CAS Name: acetic acid non-1-en-3-yl ester
OPENEYE Name: 1-vinylheptyl acetate
IUPAC Name: non-1-en-3-yl acetate
SYSTEMATIC NAME: non-1-en-3-yl ethanoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCCCCCC(C=C)OC(=O)C
Structure:
CAS RN: 12279-52-6
CAS Name: strontium pentafluoroaluminum(2-)
OPENEYE Name: strontium pentafluoroaluminum(2-)
IUPAC Name: strontium pentafluoroaluminum(2-)
SYSTEMATIC NAME: strontium pentakis(fluoranyl)aluminum(2-)
MOLECULAR FORMULA: AlF5Sr
MOLECULAR WEIGHT: 209.593554
SMILES: F[Al-2](F)(F)(F)F.[Sr+2]
Structure:
CAS RN: 31794-92-0
CAS Name: strontium pentafluoroaluminum(2-)
OPENEYE Name: strontium pentafluoroaluminum(2-)
IUPAC Name: strontium pentafluoroaluminum(2-)
SYSTEMATIC NAME: strontium pentakis(fluoranyl)aluminum(2-)
MOLECULAR FORMULA: AlF5Sr
MOLECULAR WEIGHT: 209.593554
SMILES: F[Al-2](F)(F)(F)F.[Sr+2]
Structure:
CAS RN: 502693-10-9
CAS Name: strontium pentafluoroaluminum(2-)
OPENEYE Name: strontium pentafluoroaluminum(2-)
IUPAC Name: strontium pentafluoroaluminum(2-)
SYSTEMATIC NAME: strontium pentakis(fluoranyl)aluminum(2-)
MOLECULAR FORMULA: AlF5Sr
MOLECULAR WEIGHT: 209.593554
SMILES: F[Al-2](F)(F)(F)F.[Sr+2]
Structure:
CAS RN: 367928-57-2
CAS Name: oxalate; tantalum(5+)
OPENEYE Name: oxalate; tantalum(5+)
IUPAC Name: oxalate; tantalum(5+)
SYSTEMATIC NAME: ethanedioate; tantalum(5+)
MOLECULAR FORMULA: C10O20Ta2
MOLECULAR WEIGHT: 801.9908
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Ta+5].[Ta+5]
Structure:
CAS RN: 12519-56-1
CAS Name: dioxido(oxo)silane; nickel(2+)
OPENEYE Name: trinickelous dioxido(oxo)silane
IUPAC Name: dioxido(oxo)silane; nickel(2+)
SYSTEMATIC NAME: bis(oxidanidyl)-oxidanylidene-silane; nickel(2+)
MOLECULAR FORMULA: Ni3O12Si4-2
MOLECULAR WEIGHT: 480.415
SMILES: [O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Ni+2].[Ni+2].[Ni+2]
Structure:
CAS RN: 31691-97-1
CAS Name: ammonium 2-(4-nonylphenoxy)ethyl sulfate
OPENEYE Name: ammonium 2-(4-nonylphenoxy)ethyl sulfate
IUPAC Name: azanium 2-(4-nonylphenoxy)ethyl sulfate
SYSTEMATIC NAME: azanium 2-(4-nonylphenoxy)ethyl sulfate
MOLECULAR FORMULA: C17H31NO5S
MOLECULAR WEIGHT: 361.49674
SMILES: CCCCCCCCCC1=CC=C(C=C1)OCCOS(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 31681-98-8
CAS Name: disodium 2-naphthalenyl hydrogen phosphate
OPENEYE Name: disodium 2-naphthyl hydrogen phosphate
IUPAC Name: disodium naphthalen-2-yl hydrogen phosphate
SYSTEMATIC NAME: disodium naphthalen-2-yl hydrogen phosphate
MOLECULAR FORMULA: C10H8Na2O4P+
MOLECULAR WEIGHT: 269.121421
SMILES: C1=CC=C2C=C(C=CC2=C1)OP(=O)(O)[O-].[Na+].[Na+]
Structure:
CAS RN: 110341-34-9
CAS Name: 2-methyl-2-propenoic acid; 2-propenoic acid butyl ester; 2-propenoic acid ethyl ester; styrene
OPENEYE Name: butyl prop-2-enoate; ethyl prop-2-enoate; 2-methylprop-2-enoic acid; styrene
IUPAC Name: butyl prop-2-enoate; ethyl prop-2-enoate; 2-methylprop-2-enoic acid; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; ethyl prop-2-enoate; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C24H34O6
MOLECULAR WEIGHT: 418.52316
SMILES: CCCCOC(=O)C=C.CCOC(=O)C=C.CC(=C)C(=O)O.C=CC1=CC=CC=C1
Structure:
CAS RN: 3658-63-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22O6
MOLECULAR WEIGHT: 370.39578
SMILES: C[C@]12CCC3=C([C@@H]1CCC2=O)C(=O)C4=C5[C@@]3([C@H](OC(=O)C5=CO4)COC)C
Structure:
CAS RN: 31636-06-3
CAS Name: chromium(3+); diethyl phosphate
OPENEYE Name: chromic diethyl phosphate
IUPAC Name: chromium(3+); diethyl phosphate
SYSTEMATIC NAME: chromium(3+); diethyl phosphate
MOLECULAR FORMULA: C12H30CrO12P3
MOLECULAR WEIGHT: 511.276783
SMILES: CCOP(=O)([O-])OCC.CCOP(=O)([O-])OCC.CCOP(=O)([O-])OCC.[Cr+3]
Structure:
CAS RN: 155575-92-1
CAS Name: formaldehyde; 4-nonylphenol
OPENEYE Name: formaldehyde; 4-nonylphenol
IUPAC Name: formaldehyde; 4-nonylphenol
SYSTEMATIC NAME: methanal; 4-nonylphenol
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CCCCCCCCCC1=CC=C(C=C1)O.C=O
Structure:
CAS RN: 3643-16-1
CAS Name: formaldehyde; 4-nonylphenol
OPENEYE Name: formaldehyde; 4-nonylphenol
IUPAC Name: formaldehyde; 4-nonylphenol
SYSTEMATIC NAME: methanal; 4-nonylphenol
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CCCCCCCCCC1=CC=C(C=C1)O.C=O
Structure:
CAS RN: 31605-03-5
CAS Name: zinc 4-(diethylamino)-2-ethoxybenzenediazonium trichloride
OPENEYE Name: zinc 4-(diethylamino)-2-ethoxy-benzenediazonium trichloride
IUPAC Name: zinc 4-(diethylamino)-2-ethoxybenzenediazonium trichloride
SYSTEMATIC NAME: zinc 4-(diethylamino)-2-ethoxy-benzenediazonium trichloride
MOLECULAR FORMULA: C12H18Cl3N3OZn
MOLECULAR WEIGHT: 392.05882
SMILES: CCN(CC)C1=CC(=C(C=C1)[N+]#N)OCC.[Cl-].[Cl-].[Cl-].[Zn+2]
Structure:
CAS RN: 29305-34-8
CAS Name: 5-(4-tert-butylphenoxy)sulfonyl-2-diazonio-1-naphthalenolate
OPENEYE Name: 5-(4-tert-butylphenoxy)sulfonyl-2-diazonio-naphthalen-1-olate
IUPAC Name: 5-(4-tert-butylphenoxy)sulfonyl-2-diazonionaphthalen-1-olate
SYSTEMATIC NAME: 5-(4-tert-butylphenoxy)sulfonyl-2-diazonio-naphthalen-1-olate
MOLECULAR FORMULA: C20H18N2O4S
MOLECULAR WEIGHT: 382.43292
SMILES: CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N
Structure:
CAS RN: 36374-99-9
CAS Name: 1,3-dipropyl-7H-purine-2,6-dione
OPENEYE Name: 1,3-dipropyl-7H-purine-2,6-dione
IUPAC Name: 1,3-dipropyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dipropyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C11H16N4O2
MOLECULAR WEIGHT: 236.27034
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC=N2
Structure:
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