(2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one

Systemtic Name: (2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Openeye Name: (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one CAS Name: [1-hydroxy-2-(1-imidazolyl)-1-phosphonoethyl]phosphonic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Traditional Name: (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid; 3-(4-mesylphenyl)-4-phenyl-2H-furan-5-one Formula: C22H24N2O11P2S MolecularWeight: 586.445282

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3.C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3.C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H14O4S.C5H10N2O7P2/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13;8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h2-10H,11H2,1H3;1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)