disodium [1-oxidanyl-3-[3-(4-phenylphenyl)phenyl]-1-phosphono-propyl]phosphonic acid

Systemtic Name: disodium [1-oxidanyl-3-[3-(4-phenylphenyl)phenyl]-1-phosphono-propyl]phosphonic acid Openeye Name: disodium [1-hydroxy-3-[3-(4-phenylphenyl)phenyl]-1-phosphono-propyl]phosphonic acid CAS Name: disodium [1-hydroxy-3-[3-(4-phenylphenyl)phenyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: disodium [1-hydroxy-3-[3-(4-phenylphenyl)phenyl]-1-phosphonopropyl]phosphonic acid Traditional Name: disodium [1-hydroxy-3-[3-(4-phenylphenyl)phenyl]-1-phosphono-propyl]phosphonic acid Formula: C21H22Na2O7P2+2 MolecularWeight: 494.322242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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