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

Systemtic Name: 4-[3-oxidanylidene-3-(2-oxidanyl-5-phosphono-phenyl)propyl]benzoic acid Openeye Name: 4-[3-(2-hydroxy-5-phosphono-phenyl)-3-oxo-propyl]benzoic acid CAS Name: 4-[3-(2-hydroxy-5-phosphonophenyl)-3-oxopropyl]benzoic acid IUPAC Name: 4-[3-(2-hydroxy-5-phosphonophenyl)-3-oxopropyl]benzoic acid Traditional Name: 4-[3-(2-hydroxy-5-phosphono-phenyl)-3-keto-propyl]benzoic acid Formula: C16H15O7P MolecularWeight: 350.259861

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H15O7P/c17-14(7-3-10-1-4-11(5-2-10)16(19)20)13-9-12(24(21,22)23)6-8-15(13)18/h1-2,4-6,8-9,18H,3,7H2,(H,19,20)(H2,21,22,23)