(E)-7-[3-butoxy-5-oxidanylidene-2-[(E)-3-propoxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-butoxy-5-oxidanylidene-2-[(E)-3-propoxyoct-1-enyl]cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[3-butoxy-5-oxo-2-[(E)-3-propoxyoct-1-enyl]cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[3-butoxy-5-oxo-2-[(E)-3-propoxyoct-1-enyl]cyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[3-butoxy-5-oxo-2-[(E)-3-propoxyoct-1-enyl]cyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[3-butoxy-5-keto-2-[(E)-3-propoxyoct-1-enyl]cyclopentyl]hept-5-enoic acid Formula: C27H46O5 MolecularWeight: 450.65114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)OCCCC)OCCC

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=O)C1C/C=C/CCCC(=O)O)OCCCC)OCCC

InChI

InChI=1S/C27H46O5/c1-4-7-11-14-22(31-19-6-3)17-18-24-23(15-12-9-10-13-16-27(29)30)25(28)21-26(24)32-20-8-5-2/h9,12,17-18,22-24,26H,4-8,10-11,13-16,19-21H2,1-3H3,(H,29,30)/b12-9+,18-17+