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

Systemtic Name: [2-(4-cyanophenyl)-1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-cyanophenyl)-1-(4-hydroxyphenoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4-cyanophenyl)-1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-cyanophenyl)-1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-cyanophenyl)-1-(4-hydroxyphenoxy)-1-phosphono-ethyl]phosphonic acid Formula: C15H15NO8P2 MolecularWeight: 399.229022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(OC2=CC=C(C=C2)O)(P(=O)(O)O)P(=O)(O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CC(OC2=CC=C(C=C2)O)(P(=O)(O)O)P(=O)(O)O)C#N

InChI

InChI=1S/C15H15NO8P2/c16-10-12-3-1-11(2-4-12)9-15(25(18,19)20,26(21,22)23)24-14-7-5-13(17)6-8-14/h1-8,17H,9H2,(H2,18,19,20)(H2,21,22,23)