CAS RN: 51510-26-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H18S
MOLECULAR WEIGHT: 194.33632
SMILES: CC(=C1C2CCC1C3C2CSC3)C
Structure:
CAS RN: 90642-37-8
CAS Name: 1-(bromomethyl)-2-iodo-4-nitrobenzene
OPENEYE Name: 1-(bromomethyl)-2-iodo-4-nitro-benzene
IUPAC Name: 1-(bromomethyl)-2-iodo-4-nitrobenzene
SYSTEMATIC NAME: 1-(bromomethyl)-2-iodanyl-4-nitro-benzene
MOLECULAR FORMULA: C7H5BrINO2
MOLECULAR WEIGHT: 341.92857
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])I)CBr
Structure:
CAS RN: 26939-21-9
CAS Name: [1,3]dioxolo[4,5-f][2,1]benzoxazole
OPENEYE Name: [1,3]dioxolo[4,5-f][2,1]benzoxazole
IUPAC Name: [1,3]dioxolo[4,5-f][2,1]benzoxazole
SYSTEMATIC NAME: [1,3]dioxolo[4,5-f][2,1]benzoxazole
MOLECULAR FORMULA: C8H5NO3
MOLECULAR WEIGHT: 163.1302
SMILES: C1OC2=CC3=CON=C3C=C2O1
Structure:
CAS RN: 16411-32-8
CAS Name: 1,3-dihydroimidazo[4,5-b]pyrazin-2-one
OPENEYE Name: 1,3-dihydroimidazo[4,5-b]pyrazin-2-one
IUPAC Name: 1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SYSTEMATIC NAME: 1,3-dihydroimidazo[4,5-b]pyrazin-2-one
MOLECULAR FORMULA: C5H4N4O
MOLECULAR WEIGHT: 136.11146
SMILES: C1=CN=C2C(=N1)NC(=O)N2
Structure:
CAS RN: 59503-64-9
CAS Name: 2,3-dimethoxy-1,2,3,4-tetrahydropyrazino[2,3-b]quinoxaline
OPENEYE Name: 2,3-dimethoxy-1,2,3,4-tetrahydropyrazino[2,3-b]quinoxaline
IUPAC Name: 2,3-dimethoxy-1,2,3,4-tetrahydropyrazino[2,3-b]quinoxaline
SYSTEMATIC NAME: 2,3-dimethoxy-1,2,3,4-tetrahydropyrazino[2,3-b]quinoxaline
MOLECULAR FORMULA: C12H14N4O2
MOLECULAR WEIGHT: 246.26516
SMILES: COC1C(NC2=NC3=CC=CC=C3N=C2N1)OC
Structure:
CAS RN: 227-04-3
CAS Name: acetic acid [(3aR,4R,4aS,8R,8aR,9aS)-8-hydroxy-8a-methyl-3,5-dimethylene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-4-yl] ester
OPENEYE Name: [(3aR,4R,4aS,8R,8aR,9aS)-8-hydroxy-8a-methyl-3,5-dimethylene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-4-yl] acetate
IUPAC Name: [(3aR,4R,4aS,8R,8aR,9aS)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] acetate
SYSTEMATIC NAME: [(3aR,4R,4aS,8R,8aR,9aS)-8a-methyl-3,5-dimethylidene-8-oxidanyl-2-oxidanylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: CC(=O)O[C@H]1[C@H]2[C@H](C[C@@]3([C@@H]1C(=C)CC[C@H]3O)C)OC(=O)C2=C
Structure:
CAS RN: 69827-75-4
CAS Name: 3-[[[4-[(2,4-diamino-5-methyl-6-quinazolinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 3-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 3-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 3-[[4-[[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C22H24N6O5
MOLECULAR WEIGHT: 452.46316
SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)CC(=O)O
Structure:
CAS RN: 109621-27-4
CAS Name: (2-phenoxyphenyl)-phenylphosphinic acid
OPENEYE Name: (2-phenoxyphenyl)-phenyl-phosphinic acid
IUPAC Name: (2-phenoxyphenyl)-phenylphosphinic acid
SYSTEMATIC NAME: (2-phenoxyphenyl)-phenyl-phosphinic acid
MOLECULAR FORMULA: C18H15O3P
MOLECULAR WEIGHT: 310.283661
SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2P(=O)(C3=CC=CC=C3)O
Structure:
CAS RN: 109817-44-9
CAS Name: bis(4-bromophenyl)phosphinic acid
OPENEYE Name: bis(4-bromophenyl)phosphinic acid
IUPAC Name: bis(4-bromophenyl)phosphinic acid
SYSTEMATIC NAME: bis(4-bromophenyl)phosphinic acid
MOLECULAR FORMULA: C12H9Br2O2P
MOLECULAR WEIGHT: 375.980421
SMILES: C1=CC(=CC=C1P(=O)(C2=CC=C(C=C2)Br)O)Br
Structure:
CAS RN: 42075-42-3
CAS Name: bis(4-bromophenyl)phosphinic acid
OPENEYE Name: bis(4-bromophenyl)phosphinic acid
IUPAC Name: bis(4-bromophenyl)phosphinic acid
SYSTEMATIC NAME: bis(4-bromophenyl)phosphinic acid
MOLECULAR FORMULA: C12H9Br2O2P
MOLECULAR WEIGHT: 375.980421
SMILES: C1=CC(=CC=C1P(=O)(C2=CC=C(C=C2)Br)O)Br
Structure:
CAS RN: 4104-03-4
CAS Name: (5-bromo-2-nitrophenyl)phosphonic acid
OPENEYE Name: (5-bromo-2-nitro-phenyl)phosphonic acid
IUPAC Name: (5-bromo-2-nitrophenyl)phosphonic acid
SYSTEMATIC NAME: (5-bromanyl-2-nitro-phenyl)phosphonic acid
MOLECULAR FORMULA: C6H5BrNO5P
MOLECULAR WEIGHT: 281.985361
SMILES: C1=CC(=C(C=C1Br)P(=O)(O)O)[N+](=O)[O-]
Structure:
CAS RN: 17146-09-7
CAS Name: (5-chloro-4-methyl-2-nitrophenyl)phosphonic acid
OPENEYE Name: (5-chloro-4-methyl-2-nitro-phenyl)phosphonic acid
IUPAC Name: (5-chloro-4-methyl-2-nitrophenyl)phosphonic acid
SYSTEMATIC NAME: (5-chloranyl-4-methyl-2-nitro-phenyl)phosphonic acid
MOLECULAR FORMULA: C7H7ClNO5P
MOLECULAR WEIGHT: 251.560941
SMILES: CC1=CC(=C(C=C1Cl)P(=O)(O)O)[N+](=O)[O-]
Structure:
CAS RN: 40675-18-1
CAS Name: (4-acetylphenyl)phosphonic acid
OPENEYE Name: (4-acetylphenyl)phosphonic acid
IUPAC Name: (4-acetylphenyl)phosphonic acid
SYSTEMATIC NAME: (4-ethanoylphenyl)phosphonic acid
MOLECULAR FORMULA: C8H9O4P
MOLECULAR WEIGHT: 200.128421
SMILES: CC(=O)C1=CC=C(C=C1)P(=O)(O)O
Structure:
CAS RN: 5428-96-6
CAS Name: (2-iodo-5-nitrophenyl)phosphonic acid
OPENEYE Name: (2-iodo-5-nitro-phenyl)phosphonic acid
IUPAC Name: (2-iodo-5-nitrophenyl)phosphonic acid
SYSTEMATIC NAME: (2-iodanyl-5-nitro-phenyl)phosphonic acid
MOLECULAR FORMULA: C6H5INO5P
MOLECULAR WEIGHT: 328.985831
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])P(=O)(O)O)I
Structure:
CAS RN: 4773-35-7
CAS Name: [4-(4-bromophenoxy)phenyl]phosphonic acid
OPENEYE Name: [4-(4-bromophenoxy)phenyl]phosphonic acid
IUPAC Name: [4-(4-bromophenoxy)phenyl]phosphonic acid
SYSTEMATIC NAME: [4-(4-bromanylphenoxy)phenyl]phosphonic acid
MOLECULAR FORMULA: C12H10BrO4P
MOLECULAR WEIGHT: 329.083161
SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)Br)P(=O)(O)O
Structure:
CAS RN: 40678-91-9
CAS Name: oxido-(4-phosphonophenyl)-(4-phosphonophenyl)iminoammonium
OPENEYE Name: oxido-(4-phosphonophenyl)-(4-phosphonophenyl)imino-ammonium
IUPAC Name: oxido-(4-phosphonophenyl)-(4-phosphonophenyl)iminoazanium
SYSTEMATIC NAME: oxidanidyl-(4-phosphonophenyl)-(4-phosphonophenyl)imino-azanium
MOLECULAR FORMULA: C12H12N2O7P2
MOLECULAR WEIGHT: 358.180402
SMILES: C1=CC(=CC=C1N=[N+](C2=CC=C(C=C2)P(=O)(O)O)[O-])P(=O)(O)O
Structure:
CAS RN: 1673-43-4
CAS Name: (4-cyanophenyl)phosphonic acid
OPENEYE Name: (4-cyanophenyl)phosphonic acid
IUPAC Name: (4-cyanophenyl)phosphonic acid
SYSTEMATIC NAME: (4-cyanophenyl)phosphonic acid
MOLECULAR FORMULA: C7H6NO3P
MOLECULAR WEIGHT: 183.101201
SMILES: C1=CC(=CC=C1C#N)P(=O)(O)O
Structure:
CAS RN: 40671-25-8
CAS Name: (3-phenoxyphenyl)phosphonic acid
OPENEYE Name: (3-phenoxyphenyl)phosphonic acid
IUPAC Name: (3-phenoxyphenyl)phosphonic acid
SYSTEMATIC NAME: (3-phenoxyphenyl)phosphonic acid
MOLECULAR FORMULA: C12H11O4P
MOLECULAR WEIGHT: 250.187101
SMILES: C1=CC=C(C=C1)OC2=CC(=CC=C2)P(=O)(O)O
Structure:
CAS RN: 7260-16-4
CAS Name: 1-ethylsulfinyl-4-nitrobenzene
OPENEYE Name: 1-ethylsulfinyl-4-nitro-benzene
IUPAC Name: 1-ethylsulfinyl-4-nitrobenzene
SYSTEMATIC NAME: 1-ethylsulfinyl-4-nitro-benzene
MOLECULAR FORMULA: C8H9NO3S
MOLECULAR WEIGHT: 199.22696
SMILES: CCS(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 61066-20-4
CAS Name: (2-bromophenyl)arsonic acid
OPENEYE Name: (2-bromophenyl)arsonic acid
IUPAC Name: (2-bromophenyl)arsonic acid
SYSTEMATIC NAME: (2-bromophenyl)arsonic acid
MOLECULAR FORMULA: C6H6AsBrO3
MOLECULAR WEIGHT: 280.93564
SMILES: C1=CC=C(C(=C1)[As](=O)(O)O)Br
Structure:
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