(3-cyano-3-phenyl-1-phosphono-propyl)phosphonic acid

Systemtic Name: (3-cyano-3-phenyl-1-phosphono-propyl)phosphonic acid Openeye Name: (3-cyano-3-phenyl-1-phosphono-propyl)phosphonic acid CAS Name: (3-cyano-3-phenyl-1-phosphonopropyl)phosphonic acid IUPAC Name: (3-cyano-3-phenyl-1-phosphonopropyl)phosphonic acid Traditional Name: (3-cyano-3-phenyl-1-phosphono-propyl)phosphonic acid Formula: C10H13NO6P2 MolecularWeight: 305.160842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO6P2/c11-7-9(8-4-2-1-3-5-8)6-10(18(12,13)14)19(15,16)17/h1-5,9-10H,6H2,(H2,12,13,14)(H2,15,16,17)