[4-(4-acetamidophenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(4-acetamidophenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(4-acetamidophenyl)-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-(4-acetamidophenyl)-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(4-acetamidophenyl)-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(4-acetamidophenyl)-4-keto-1-phosphono-butyl]phosphonic acid Formula: C12H17NO8P2 MolecularWeight: 365.212802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H17NO8P2/c1-8(14)13-10-4-2-9(3-5-10)11(15)6-7-12(22(16,17)18)23(19,20)21/h2-5,12H,6-7H2,1H3,(H,13,14)(H2,16,17,18)(H2,19,20,21)