4-cyano-4-(3,7-dimethyloctyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-cyano-4-(3,7-dimethyloctyl)cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-(3,7-dimethyloctyl)cyclohexanecarboxylic acid CAS Name: 4-cyano-4-(3,7-dimethyloctyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-(3,7-dimethyloctyl)cyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-(3,7-dimethyloctyl)cyclohexanecarboxylic acid Formula: C18H31NO2 MolecularWeight: 293.44424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCC1(CCC(CC1)C(=O)O)C#N

Isomeric SMILES

CC(C)CCCC(C)CCC1(CCC(CC1)C(=O)O)C#N

InChI

InChI=1S/C18H31NO2/c1-14(2)5-4-6-15(3)7-10-18(13-19)11-8-16(9-12-18)17(20)21/h14-16H,4-12H2,1-3H3,(H,20,21)