[3-(4-dibenzofuran-4-ylphenyl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(4-dibenzofuran-4-ylphenyl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(4-dibenzofuran-4-ylphenyl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[4-(4-dibenzofuranyl)phenyl]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(4-dibenzofuran-4-ylphenyl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(4-dibenzofuran-4-ylphenyl)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C21H20O8P2 MolecularWeight: 462.326222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C21H20O8P2/c22-21(30(23,24)25,31(26,27)28)13-12-14-8-10-15(11-9-14)16-5-3-6-18-17-4-1-2-7-19(17)29-20(16)18/h1-11,22H,12-13H2,(H2,23,24,25)(H2,26,27,28)