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

Systemtic Name: [1-oxidanylidene-1-(4-prop-2-enoxyphenyl)propan-2-yl] 4-(4-hexoxyphenyl)benzoate Openeye Name: [2-(4-allyloxyphenyl)-1-methyl-2-oxo-ethyl] 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)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-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid [2-(4-allyloxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C31H34O5 MolecularWeight: 486.59866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CCCCCCOC1=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/C31H34O5/c1-4-6-7-8-22-35-29-17-13-25(14-18-29)24-9-11-27(12-10-24)31(33)36-23(3)30(32)26-15-19-28(20-16-26)34-21-5-2/h5,9-20,23H,2,4,6-8,21-22H2,1,3H3