4-cyano-4-heptyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-cyano-4-heptyl-cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-heptylcyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid Formula: C15H25NO2 MolecularWeight: 251.3645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)O)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)O)C#N

InChI

InChI=1S/C15H25NO2/c1-2-3-4-5-6-9-15(12-16)10-7-13(8-11-15)14(17)18/h13H,2-11H2,1H3,(H,17,18)