(1-pentyl-4-bicyclo[2.2.2]octanyl) 4-hexylbenzoate

Systemtic Name: (1-pentyl-4-bicyclo[2.2.2]octanyl) 4-hexylbenzoate Openeye Name: (1-pentyl-4-bicyclo[2.2.2]octanyl) 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid (1-pentyl-4-bicyclo[2.2.2]octanyl) ester IUPAC Name: (1-pentyl-4-bicyclo[2.2.2]octanyl) 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid (1-amyl-4-bicyclo[2.2.2]octanyl) ester Formula: C26H40O2 MolecularWeight: 384.5946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC23CCC(CC2)(CC3)CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC23CCC(CC2)(CC3)CCCCC

InChI

InChI=1S/C26H40O2/c1-3-5-7-8-10-22-11-13-23(14-12-22)24(27)28-26-19-16-25(17-20-26,18-21-26)15-9-6-4-2/h11-14H,3-10,15-21H2,1-2H3