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

Systemtic Name: [2-(3-cyanophenyl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-cyanophenyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-cyanophenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-cyanophenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-cyanophenyl)-1-phosphono-ethyl]phosphonic acid Formula: C9H11NO6P2 MolecularWeight: 291.134262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O)C#N

InChI

InChI=1S/C9H11NO6P2/c10-6-8-3-1-2-7(4-8)5-9(17(11,12)13)18(14,15)16/h1-4,9H,5H2,(H2,11,12,13)(H2,14,15,16)