1-(2-ethylhexoxy)ethyl 6-[8-[1-(2-ethylhexoxy)ethoxy]-8-oxidanylidene-octyl]-3-hexyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: 1-(2-ethylhexoxy)ethyl 6-[8-[1-(2-ethylhexoxy)ethoxy]-8-oxidanylidene-octyl]-3-hexyl-cyclohex-3-ene-1-carboxylate Openeye Name: 1-(2-ethylhexoxy)ethyl 6-[8-[1-(2-ethylhexoxy)ethoxy]-8-oxo-octyl]-3-hexyl-cyclohex-3-ene-1-carboxylate CAS Name: 6-[8-[1-(2-ethylhexoxy)ethoxy]-8-oxooctyl]-3-hexyl-1-cyclohex-3-enecarboxylic acid 1-(2-ethylhexoxy)ethyl ester IUPAC Name: 1-(2-ethylhexoxy)ethyl 6-[8-[1-(2-ethylhexoxy)ethoxy]-8-oxooctyl]-3-hexylcyclohex-3-ene-1-carboxylate Traditional Name: 6-[8-[1-(2-ethylhexoxy)ethoxy]-8-keto-octyl]-3-hexyl-cyclohex-3-ene-1-carboxylic acid 1-(2-ethylhexoxy)ethyl ester Formula: C41H76O6 MolecularWeight: 665.03854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CCC(C(C1)C(=O)OC(C)OCC(CC)CCCC)CCCCCCCC(=O)OC(C)OCC(CC)CCCC

Isomeric SMILES

CCCCCCC1=CCC(C(C1)C(=O)OC(C)OCC(CC)CCCC)CCCCCCCC(=O)OC(C)OCC(CC)CCCC

InChI

InChI=1S/C41H76O6/c1-8-13-16-20-25-37-28-29-38(39(30-37)41(43)47-34(7)45-32-36(12-5)24-15-10-3)26-21-18-17-19-22-27-40(42)46-33(6)44-31-35(11-4)23-14-9-2/h28,33-36,38-39H,8-27,29-32H2,1-7H3