[1-oxidanyl-2-[3-(3-phenylphenyl)phenoxy]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-2-[3-(3-phenylphenyl)phenoxy]-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[3-(3-phenylphenyl)phenoxy]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[3-(3-phenylphenyl)phenoxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[3-(3-phenylphenyl)phenoxy]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[3-(3-phenylphenyl)phenoxy]-1-phosphono-ethyl]phosphonic acid Formula: C20H20O8P2 MolecularWeight: 450.315522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)OCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)OCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)