methyl (E,7E)-7-(cyclohexylmethylidene)-12-oxidanylidene-tridec-5-enoate

Systemtic Name: methyl (E,7E)-7-(cyclohexylmethylidene)-12-oxidanylidene-tridec-5-enoate Openeye Name: methyl (E,7E)-7-(cyclohexylmethylene)-12-oxo-tridec-5-enoate CAS Name: (E,7E)-7-(cyclohexylmethylidene)-12-oxo-5-tridecenoic acid methyl ester IUPAC Name: methyl (E,7E)-7-(cyclohexylmethylidene)-12-oxotridec-5-enoate Traditional Name: (5E,7E)-8-cyclohexyl-7-(5-ketohexyl)octa-5,7-dienoic acid methyl ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC(=CC1CCCCC1)C=CCCCC(=O)OC

Isomeric SMILES

CC(=O)CCCC/C(=C\C1CCCCC1)/C=C/CCCC(=O)OC

InChI

InChI=1S/C21H34O3/c1-18(22)11-9-10-15-20(17-19-12-5-3-6-13-19)14-7-4-8-16-21(23)24-2/h7,14,17,19H,3-6,8-13,15-16H2,1-2H3/b14-7+,20-17-