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

Systemtic Name: butyl (E)-7-[1-methyl-3-oxidanyl-5-oxidanylidene-2-(3-oxidanyloctyl)cyclopentyl]hept-2-enoate Openeye Name: butyl (E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-1-methyl-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-1-methyl-5-oxocyclopentyl]-2-heptenoic acid butyl ester IUPAC Name: butyl (E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-1-methyl-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-5-keto-1-methyl-cyclopentyl]hept-2-enoic acid butyl ester Formula: C25H44O5 MolecularWeight: 424.61386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1C(CC(=O)C1(C)CCCCC=CC(=O)OCCCC)O)O

Isomeric SMILES

CCCCCC(CCC1C(CC(=O)C1(C)CCCC/C=C/C(=O)OCCCC)O)O

InChI

InChI=1S/C25H44O5/c1-4-6-10-13-20(26)15-16-21-22(27)19-23(28)25(21,3)17-12-9-8-11-14-24(29)30-18-7-5-2/h11,14,20-22,26-27H,4-10,12-13,15-19H2,1-3H3/b14-11+