[4-[3-oxidanylidene-3-(2-oxidanyl-5-phosphono-phenyl)propyl]phenyl]phosphonic acid

Systemtic Name: [4-[3-oxidanylidene-3-(2-oxidanyl-5-phosphono-phenyl)propyl]phenyl]phosphonic acid Openeye Name: [4-[3-(2-hydroxy-5-phosphono-phenyl)-3-oxo-propyl]phenyl]phosphonic acid CAS Name: [4-hydroxy-3-[1-oxo-3-(4-phosphonophenyl)propyl]phenyl]phosphonic acid IUPAC Name: [4-[3-(2-hydroxy-5-phosphonophenyl)-3-oxopropyl]phenyl]phosphonic acid Traditional Name: [4-[3-(2-hydroxy-5-phosphono-phenyl)-3-keto-propyl]phenyl]phosphonic acid Formula: C15H16O8P2 MolecularWeight: 386.230262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)C2=C(C=CC(=C2)P(=O)(O)O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)C2=C(C=CC(=C2)P(=O)(O)O)O)P(=O)(O)O

InChI

InChI=1S/C15H16O8P2/c16-14(13-9-12(25(21,22)23)6-8-15(13)17)7-3-10-1-4-11(5-2-10)24(18,19)20/h1-2,4-6,8-9,17H,3,7H2,(H2,18,19,20)(H2,21,22,23)