8-[5-oxidanylidene-2-[(E)-3-propanoyloxynon-1-enyl]-3-propan-2-yl-cyclopentyl]octanoic acid

Systemtic Name: 8-[5-oxidanylidene-2-[(E)-3-propanoyloxynon-1-enyl]-3-propan-2-yl-cyclopentyl]octanoic acid Openeye Name: 8-[3-isopropyl-5-oxo-2-[(E)-3-propanoyloxynon-1-enyl]cyclopentyl]octanoic acid CAS Name: 8-[5-oxo-2-[(E)-3-(1-oxopropoxy)non-1-enyl]-3-propan-2-ylcyclopentyl]octanoic acid IUPAC Name: 8-[5-oxo-2-[(E)-3-propanoyloxynon-1-enyl]-3-propan-2-ylcyclopentyl]octanoic acid Traditional Name: 8-[3-isopropyl-5-keto-2-[(E)-3-propionyloxynon-1-enyl]cyclopentyl]caprylic acid Formula: C28H48O5 MolecularWeight: 464.67772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=CC1C(CC(=O)C1CCCCCCCC(=O)O)C(C)C)OC(=O)CC

Isomeric SMILES

CCCCCCC(/C=C/C1C(CC(=O)C1CCCCCCCC(=O)O)C(C)C)OC(=O)CC

InChI

InChI=1S/C28H48O5/c1-5-7-8-12-15-22(33-28(32)6-2)18-19-23-24(26(29)20-25(23)21(3)4)16-13-10-9-11-14-17-27(30)31/h18-19,21-25H,5-17,20H2,1-4H3,(H,30,31)/b19-18+