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

Systemtic Name: [1-oxidanylidene-1-(4-prop-2-enoxyphenyl)propan-2-yl] 4-(4-octoxyphenyl)benzoate Openeye Name: [2-(4-allyloxyphenyl)-1-methyl-2-oxo-ethyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)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-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [2-(4-allyloxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C33H38O5 MolecularWeight: 514.65182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C33H38O5/c1-4-6-7-8-9-10-24-37-31-19-15-27(16-20-31)26-11-13-29(14-12-26)33(35)38-25(3)32(34)28-17-21-30(22-18-28)36-23-5-2/h5,11-22,25H,2,4,6-10,23-24H2,1,3H3