(4-cyano-1-cyclopropyl-4-ethyl-hexan-2-yl)phosphonic acid

Systemtic Name: (4-cyano-1-cyclopropyl-4-ethyl-hexan-2-yl)phosphonic acid Openeye Name: [3-cyano-1-(cyclopropylmethyl)-3-ethyl-pentyl]phosphonic acid CAS Name: (4-cyano-1-cyclopropyl-4-ethylhexan-2-yl)phosphonic acid IUPAC Name: (4-cyano-1-cyclopropyl-4-ethylhexan-2-yl)phosphonic acid Traditional Name: [3-cyano-1-(cyclopropylmethyl)-3-ethyl-pentyl]phosphonic acid Formula: C12H22NO3P MolecularWeight: 259.281741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(CC1CC1)P(=O)(O)O)C#N

Isomeric SMILES

CCC(CC)(CC(CC1CC1)P(=O)(O)O)C#N

InChI

InChI=1S/C12H22NO3P/c1-3-12(4-2,9-13)8-11(17(14,15)16)7-10-5-6-10/h10-11H,3-8H2,1-2H3,(H2,14,15,16)