[2-(3-cyanophenyl)-1-phenoxy-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-cyanophenyl)-1-phenoxy-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-cyanophenyl)-1-phenoxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-cyanophenyl)-1-phenoxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-cyanophenyl)-1-phenoxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-cyanophenyl)-1-phenoxy-1-phosphono-ethyl]phosphonic acid Formula: C15H15NO7P2 MolecularWeight: 383.229622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CC2=CC=CC(=C2)C#N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CC2=CC=CC(=C2)C#N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H15NO7P2/c16-11-13-6-4-5-12(9-13)10-15(24(17,18)19,25(20,21)22)23-14-7-2-1-3-8-14/h1-9H,10H2,(H2,17,18,19)(H2,20,21,22)