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

Systemtic Name: methyl (E)-7-[3,3-dimethyl-4-oxidanyl-2-oxidanylidene-5-(3-oxidanyloctyl)cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[4-hydroxy-5-(3-hydroxyoctyl)-3,3-dimethyl-2-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[4-hydroxy-5-(3-hydroxyoctyl)-3,3-dimethyl-2-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[4-hydroxy-5-(3-hydroxyoctyl)-3,3-dimethyl-2-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[4-hydroxy-5-(3-hydroxyoctyl)-2-keto-3,3-dimethyl-cyclopentyl]hept-5-enoic acid methyl ester Formula: C23H40O5 MolecularWeight: 396.5607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1C(C(=O)C(C1O)(C)C)CC=CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(CCC1C(C(=O)C(C1O)(C)C)C/C=C/CCCC(=O)OC)O

InChI

InChI=1S/C23H40O5/c1-5-6-9-12-17(24)15-16-19-18(21(26)23(2,3)22(19)27)13-10-7-8-11-14-20(25)28-4/h7,10,17-19,22,24,27H,5-6,8-9,11-16H2,1-4H3/b10-7+