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

Systemtic Name: methyl (E)-7-[1-methyl-2-oxidanylidene-5-(3-oxidanyloctyl)cyclopentyl]hept-2-enoate Openeye Name: methyl (E)-7-[2-(3-hydroxyoctyl)-1-methyl-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[2-(3-hydroxyoctyl)-1-methyl-5-oxocyclopentyl]-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-(3-hydroxyoctyl)-1-methyl-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[2-(3-hydroxyoctyl)-5-keto-1-methyl-cyclopentyl]hept-2-enoic acid methyl ester Formula: C22H38O4 MolecularWeight: 366.53472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1CCC(=O)C1(C)CCCCC=CC(=O)OC)O

Isomeric SMILES

CCCCCC(CCC1CCC(=O)C1(C)CCCC/C=C/C(=O)OC)O

InChI

InChI=1S/C22H38O4/c1-4-5-8-11-19(23)15-13-18-14-16-20(24)22(18,2)17-10-7-6-9-12-21(25)26-3/h9,12,18-19,23H,4-8,10-11,13-17H2,1-3H3/b12-9+