ethyl (E)-7-[1-methyl-2-(3-oxidanyldecyl)-5-oxidanylidene-cyclopentyl]hept-2-enoate

Systemtic Name: ethyl (E)-7-[1-methyl-2-(3-oxidanyldecyl)-5-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[2-(3-hydroxydecyl)-1-methyl-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[2-(3-hydroxydecyl)-1-methyl-5-oxocyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[2-(3-hydroxydecyl)-1-methyl-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[2-(3-hydroxydecyl)-5-keto-1-methyl-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C25H44O4 MolecularWeight: 408.61446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCC1CCC(=O)C1(C)CCCCC=CC(=O)OCC)O

Isomeric SMILES

CCCCCCCC(CCC1CCC(=O)C1(C)CCCC/C=C/C(=O)OCC)O

InChI

InChI=1S/C25H44O4/c1-4-6-7-8-11-14-22(26)18-16-21-17-19-23(27)25(21,3)20-13-10-9-12-15-24(28)29-5-2/h12,15,21-22,26H,4-11,13-14,16-20H2,1-3H3/b15-12+