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

Systemtic Name: [1-oxidanylidene-1-(4-prop-2-enoxyphenyl)propan-2-yl] 4-(4-octylcyclohexyl)benzoate Openeye Name: [2-(4-allyloxyphenyl)-1-methyl-2-oxo-ethyl] 4-(4-octylcyclohexyl)benzoate CAS Name: 4-(4-octylcyclohexyl)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-octylcyclohexyl)benzoate Traditional Name: 4-(4-octylcyclohexyl)benzoic acid [2-(4-allyloxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C33H44O4 MolecularWeight: 504.70006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C33H44O4/c1-4-6-7-8-9-10-11-26-12-14-27(15-13-26)28-16-18-30(19-17-28)33(35)37-25(3)32(34)29-20-22-31(23-21-29)36-24-5-2/h5,16-23,25-27H,2,4,6-15,24H2,1,3H3