[1-(4-oxidanylphenoxy)-2-(4-phenoxyphenyl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-(4-oxidanylphenoxy)-2-(4-phenoxyphenyl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-(4-hydroxyphenoxy)-2-(4-phenoxyphenyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-(4-hydroxyphenoxy)-2-(4-phenoxyphenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-(4-hydroxyphenoxy)-2-(4-phenoxyphenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-(4-hydroxyphenoxy)-2-(4-phenoxyphenyl)-1-phosphono-ethyl]phosphonic acid Formula: C20H20O9P2 MolecularWeight: 466.314922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(OC3=CC=C(C=C3)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(OC3=CC=C(C=C3)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C20H20O9P2/c21-16-8-12-19(13-9-16)29-20(30(22,23)24,31(25,26)27)14-15-6-10-18(11-7-15)28-17-4-2-1-3-5-17/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)