ethyl 5-[(Z)-1-ethoxy-1-oxidanylidene-non-2-en-3-yl]-2-hexyl-benzoate

Systemtic Name: ethyl 5-[(Z)-1-ethoxy-1-oxidanylidene-non-2-en-3-yl]-2-hexyl-benzoate Openeye Name: ethyl 5-[(1Z)-1-(2-ethoxy-2-oxo-ethylidene)heptyl]-2-hexyl-benzoate CAS Name: 5-[(Z)-1-ethoxy-1-oxonon-2-en-3-yl]-2-hexylbenzoic acid ethyl ester IUPAC Name: ethyl 5-[(Z)-1-ethoxy-1-oxonon-2-en-3-yl]-2-hexylbenzoate Traditional Name: 5-[(Z)-3-ethoxy-1-hexyl-3-keto-prop-1-enyl]-2-hexyl-benzoic acid ethyl ester Formula: C26H40O4 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=CC(=O)OCC)CCCCCC)C(=O)OCC

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)/C(=C\C(=O)OCC)/CCCCCC)C(=O)OCC

InChI

InChI=1S/C26H40O4/c1-5-9-11-13-15-21-17-18-23(19-24(21)26(28)30-8-4)22(16-14-12-10-6-2)20-25(27)29-7-3/h17-20H,5-16H2,1-4H3/b22-20-