8-[2-oxidanyl-5-[(E)-3-oxidanylideneoct-1-enyl]cyclopentyl]octanoic acid

Systemtic Name: 8-[2-oxidanyl-5-[(E)-3-oxidanylideneoct-1-enyl]cyclopentyl]octanoic acid Openeye Name: 8-[2-hydroxy-5-[(E)-3-oxooct-1-enyl]cyclopentyl]octanoic acid CAS Name: 8-[2-hydroxy-5-[(E)-3-oxooct-1-enyl]cyclopentyl]octanoic acid IUPAC Name: 8-[2-hydroxy-5-[(E)-3-oxooct-1-enyl]cyclopentyl]octanoic acid Traditional Name: 8-[2-hydroxy-5-[(E)-3-ketooct-1-enyl]cyclopentyl]caprylic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1CCC(C1CCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCC(=O)/C=C/C1CCC(C1CCCCCCCC(=O)O)O

InChI

InChI=1S/C21H36O4/c1-2-3-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-4-6-9-12-21(24)25/h13,15,17,19-20,23H,2-12,14,16H2,1H3,(H,24,25)/b15-13+