methyl (E)-7-[2-(4,4-dimethyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[2-(4,4-dimethyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[2-(3-hydroxy-4,4-dimethyl-octyl)-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[2-(3-hydroxy-4,4-dimethyloctyl)-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-(3-hydroxy-4,4-dimethyloctyl)-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[2-(3-hydroxy-4,4-dimethyl-octyl)-5-keto-cyclopentyl]hept-5-enoic acid methyl ester Formula: C23H40O4 MolecularWeight: 380.5613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCC1CCC(=O)C1CC=CCCCC(=O)OC)O

Isomeric SMILES

CCCCC(C)(C)C(CCC1CCC(=O)C1C/C=C/CCCC(=O)OC)O

InChI

InChI=1S/C23H40O4/c1-5-6-17-23(2,3)21(25)16-14-18-13-15-20(24)19(18)11-9-7-8-10-12-22(26)27-4/h7,9,18-19,21,25H,5-6,8,10-17H2,1-4H3/b9-7+