(3-cyano-3-naphthalen-2-yl-1-phosphono-propyl)phosphonic acid

Systemtic Name: (3-cyano-3-naphthalen-2-yl-1-phosphono-propyl)phosphonic acid Openeye Name: [3-cyano-3-(2-naphthyl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-cyano-3-(2-naphthalenyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: (3-cyano-3-naphthalen-2-yl-1-phosphonopropyl)phosphonic acid Traditional Name: [3-cyano-3-(2-naphthyl)-1-phosphono-propyl]phosphonic acid Formula: C14H15NO6P2 MolecularWeight: 355.219522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(CC(P(=O)(O)O)P(=O)(O)O)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(CC(P(=O)(O)O)P(=O)(O)O)C#N

InChI

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