3-(4-cyclohexyl-4-heptan-4-yl-cyclohexyl)propanoate

Systemtic Name: 3-(4-cyclohexyl-4-heptan-4-yl-cyclohexyl)propanoate Openeye Name: 3-[4-cyclohexyl-4-(1-propylbutyl)cyclohexyl]propanoate CAS Name: 3-(4-cyclohexyl-4-heptan-4-ylcyclohexyl)propanoate IUPAC Name: 3-(4-cyclohexyl-4-heptan-4-ylcyclohexyl)propanoate Traditional Name: 3-[4-cyclohexyl-4-(1-propylbutyl)cyclohexyl]propionate Formula: C22H39O2- MolecularWeight: 335.54386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1(CCC(CC1)CCC(=O)[O-])C2CCCCC2

Isomeric SMILES

CCCC(CCC)C1(CCC(CC1)CCC(=O)[O-])C2CCCCC2

InChI

InChI=1S/C22H40O2/c1-3-8-19(9-4-2)22(20-10-6-5-7-11-20)16-14-18(15-17-22)12-13-21(23)24/h18-20H,3-17H2,1-2H3,(H,23,24)/p-1