[2-[3-(benzamidomethyl)phenyl]-1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(benzamidomethyl)phenyl]-1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(benzamidomethyl)phenyl]-1-(4-hydroxyphenoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(benzamidomethyl)phenyl]-1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(benzamidomethyl)phenyl]-1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(benzamidomethyl)phenyl]-1-(4-hydroxyphenoxy)-1-phosphono-ethyl]phosphonic acid Formula: C22H23NO9P2 MolecularWeight: 507.366842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=CC=CC(=C2)CC(OC3=CC=C(C=C3)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=CC=CC(=C2)CC(OC3=CC=C(C=C3)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C22H23NO9P2/c24-19-9-11-20(12-10-19)32-22(33(26,27)28,34(29,30)31)14-16-5-4-6-17(13-16)15-23-21(25)18-7-2-1-3-8-18/h1-13,24H,14-15H2,(H,23,25)(H2,26,27,28)(H2,29,30,31)