[1-oxidanylidene-1-(4-prop-2-enoxyphenyl)propan-2-yl] 4-(4-hexylcyclohexyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(4-prop-2-enoxyphenyl)propan-2-yl] 4-(4-hexylcyclohexyl)benzoate Openeye Name: [2-(4-allyloxyphenyl)-1-methyl-2-oxo-ethyl] 4-(4-hexylcyclohexyl)benzoate CAS Name: 4-(4-hexylcyclohexyl)benzoic acid [1-oxo-1-(4-prop-2-enoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-prop-2-enoxyphenyl)propan-2-yl] 4-(4-hexylcyclohexyl)benzoate Traditional Name: 4-(4-hexylcyclohexyl)benzoic acid [2-(4-allyloxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C31H40O4 MolecularWeight: 476.6469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C31H40O4/c1-4-6-7-8-9-24-10-12-25(13-11-24)26-14-16-28(17-15-26)31(33)35-23(3)30(32)27-18-20-29(21-19-27)34-22-5-2/h5,14-21,23-25H,2,4,6-13,22H2,1,3H3