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

Systemtic Name: sodium [1-oxidanyl-2-[3-(3-phenylphenyl)phenyl]-1-phosphono-ethyl]phosphonic acid Openeye Name: sodium [1-hydroxy-2-[3-(3-phenylphenyl)phenyl]-1-phosphono-ethyl]phosphonic acid CAS Name: sodium [1-hydroxy-2-[3-(3-phenylphenyl)phenyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: sodium [1-hydroxy-2-[3-(3-phenylphenyl)phenyl]-1-phosphonoethyl]phosphonic acid Traditional Name: sodium [1-hydroxy-2-[3-(3-phenylphenyl)phenyl]-1-phosphono-ethyl]phosphonic acid Formula: C20H20NaO7P2+ MolecularWeight: 457.305892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)CC(O)(P(=O)(O)O)P(=O)(O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)CC(O)(P(=O)(O)O)P(=O)(O)O.[Na+]

InChI

InChI=1S/C20H20O7P2.Na/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16;/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27);/q;+1