[4-oxidanylidene-4-phenyl-3-(phenylcarbonyl)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-oxidanylidene-4-phenyl-3-(phenylcarbonyl)-1-phosphono-butyl]phosphonic acid Openeye Name: (3-benzoyl-4-oxo-4-phenyl-1-phosphono-butyl)phosphonic acid CAS Name: (3-benzoyl-4-oxo-4-phenyl-1-phosphonobutyl)phosphonic acid IUPAC Name: (3-benzoyl-4-oxo-4-phenyl-1-phosphonobutyl)phosphonic acid Traditional Name: (3-benzoyl-4-keto-4-phenyl-1-phosphono-butyl)phosphonic acid Formula: C17H18O8P2 MolecularWeight: 412.267542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CC(P(=O)(O)O)P(=O)(O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CC(P(=O)(O)O)P(=O)(O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18O8P2/c18-16(12-7-3-1-4-8-12)14(17(19)13-9-5-2-6-10-13)11-15(26(20,21)22)27(23,24)25/h1-10,14-15H,11H2,(H2,20,21,22)(H2,23,24,25)