(3-cyano-1-naphthalen-1-yl-1-phosphono-propyl)phosphonic acid

Systemtic Name: (3-cyano-1-naphthalen-1-yl-1-phosphono-propyl)phosphonic acid Openeye Name: [3-cyano-1-(1-naphthyl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-cyano-1-(1-naphthalenyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: (3-cyano-1-naphthalen-1-yl-1-phosphonopropyl)phosphonic acid Traditional Name: [3-cyano-1-(1-naphthyl)-1-phosphono-propyl]phosphonic acid Formula: C14H15NO6P2 MolecularWeight: 355.219522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(CCC#N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(CCC#N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H15NO6P2/c15-10-4-9-14(22(16,17)18,23(19,20)21)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9H2,(H2,16,17,18)(H2,19,20,21)