hexyl (E)-7-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate

Systemtic Name: hexyl (E)-7-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate Openeye Name: hexyl (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid hexyl ester IUPAC Name: hexyl (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid hexyl ester Formula: C26H44O4 MolecularWeight: 420.62516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCC=CCC1C(CCC1=O)C=CC(CCCCC)O

Isomeric SMILES

CCCCCCOC(=O)CCC/C=C/CC1C(CCC1=O)/C=C/C(CCCCC)O

InChI

InChI=1S/C26H44O4/c1-3-5-7-13-21-30-26(29)16-12-9-8-11-15-24-22(18-20-25(24)28)17-19-23(27)14-10-6-4-2/h8,11,17,19,22-24,27H,3-7,9-10,12-16,18,20-21H2,1-2H3/b11-8+,19-17+