3-[2-(cyanomethyl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-(cyanomethyl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(cyanomethyl)phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-(cyanomethyl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(cyanomethyl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[2-(cyanomethyl)phenyl]-1-ethyl-propyl]phosphonic acid Formula: C13H18NO3P MolecularWeight: 267.260681

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1CC#N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1CC#N)P(=O)(O)O

InChI

InChI=1S/C13H18NO3P/c1-3-13(4-2,18(15,16)17)12-8-6-5-7-11(12)9-10-14/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17)