trisodium [1-oxidanyl-3-[3-(3-phenylphenyl)phenyl]-1-phosphono-propyl]phosphonic acid

Systemtic Name: trisodium [1-oxidanyl-3-[3-(3-phenylphenyl)phenyl]-1-phosphono-propyl]phosphonic acid Openeye Name: trisodium [1-hydroxy-3-[3-(3-phenylphenyl)phenyl]-1-phosphono-propyl]phosphonic acid CAS Name: trisodium [1-hydroxy-3-[3-(3-phenylphenyl)phenyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: trisodium [1-hydroxy-3-[3-(3-phenylphenyl)phenyl]-1-phosphonopropyl]phosphonic acid Traditional Name: trisodium [1-hydroxy-3-[3-(3-phenylphenyl)phenyl]-1-phosphono-propyl]phosphonic acid Formula: C21H22Na3O7P2+3 MolecularWeight: 517.312012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O7P2.3Na/c22-21(29(23,24)25,30(26,27)28)13-12-16-6-4-9-18(14-16)20-11-5-10-19(15-20)17-7-2-1-3-8-17;;;/h1-11,14-15,22H,12-13H2,(H2,23,24,25)(H2,26,27,28);;;/q;3*+1