4-(2-cyclohexyl-4-pentyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-cyclohexyl-4-pentyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-cyclohexyl-4-pentyl-phenyl)-4-oxo-butanoic acid CAS Name: 4-(2-cyclohexyl-4-pentylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(2-cyclohexyl-4-pentylphenyl)-4-oxobutanoic acid Traditional Name: 4-(4-amyl-2-cyclohexyl-phenyl)-4-keto-butyric acid Formula: C21H30O3 MolecularWeight: 330.4611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C(=O)CCC(=O)O)C2CCCCC2

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C(=O)CCC(=O)O)C2CCCCC2

InChI

InChI=1S/C21H30O3/c1-2-3-5-8-16-11-12-18(20(22)13-14-21(23)24)19(15-16)17-9-6-4-7-10-17/h11-12,15,17H,2-10,13-14H2,1H3,(H,23,24)