3-(2-cyanophenyl)pentan-3-ylphosphonic acid

Systemtic Name: 3-(2-cyanophenyl)pentan-3-ylphosphonic acid Openeye Name: [1-(2-cyanophenyl)-1-ethyl-propyl]phosphonic acid CAS Name: 3-(2-cyanophenyl)pentan-3-ylphosphonic acid IUPAC Name: 3-(2-cyanophenyl)pentan-3-ylphosphonic acid Traditional Name: [1-(2-cyanophenyl)-1-ethyl-propyl]phosphonic acid Formula: C12H16NO3P MolecularWeight: 253.234101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1C#N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1C#N)P(=O)(O)O

InChI

InChI=1S/C12H16NO3P/c1-3-12(4-2,17(14,15)16)11-8-6-5-7-10(11)9-13/h5-8H,3-4H2,1-2H3,(H2,14,15,16)