ethyl (E)-5-(4-octylphenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: ethyl (E)-5-(4-octylphenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: ethyl (E)-5-(4-octylphenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(4-octylphenyl)-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-(4-octylphenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(4-octylphenyl)pent-4-enoic acid ethyl ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C=CC(=O)CC(=O)OCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)/C=C/C(=O)CC(=O)OCC

InChI

InChI=1S/C21H30O3/c1-3-5-6-7-8-9-10-18-11-13-19(14-12-18)15-16-20(22)17-21(23)24-4-2/h11-16H,3-10,17H2,1-2H3/b16-15+