sodium [oxidanyl-[3-(3-phenylphenyl)phenyl]-phosphono-methyl]phosphonic acid

Systemtic Name: sodium [oxidanyl-[3-(3-phenylphenyl)phenyl]-phosphono-methyl]phosphonic acid Openeye Name: sodium [hydroxy-[3-(3-phenylphenyl)phenyl]-phosphono-methyl]phosphonic acid CAS Name: sodium [hydroxy-[3-(3-phenylphenyl)phenyl]-phosphonomethyl]phosphonic acid IUPAC Name: sodium [hydroxy-[3-(3-phenylphenyl)phenyl]-phosphonomethyl]phosphonic acid Traditional Name: sodium [hydroxy-[3-(3-phenylphenyl)phenyl]-phosphono-methyl]phosphonic acid Formula: C19H18NaO7P2+ MolecularWeight: 443.279312

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H18O7P2.Na/c20-19(27(21,22)23,28(24,25)26)18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14;/h1-13,20H,(H2,21,22,23)(H2,24,25,26);/q;+1