3-(2-phenoxy-2,2-diphosphono-ethyl)benzoic acid

Systemtic Name: 3-(2-phenoxy-2,2-diphosphono-ethyl)benzoic acid Openeye Name: 3-(2-phenoxy-2,2-diphosphono-ethyl)benzoic acid CAS Name: 3-(2-phenoxy-2,2-diphosphonoethyl)benzoic acid IUPAC Name: 3-(2-phenoxy-2,2-diphosphonoethyl)benzoic acid Traditional Name: 3-(2-phenoxy-2,2-diphosphono-ethyl)benzoic acid Formula: C15H16O9P2 MolecularWeight: 402.229662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CC2=CC=CC(=C2)C(=O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CC2=CC=CC(=C2)C(=O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H16O9P2/c16-14(17)12-6-4-5-11(9-12)10-15(25(18,19)20,26(21,22)23)24-13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17)(H2,18,19,20)(H2,21,22,23)