(E)-7-[2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC=CC1CCC(=O)C1CC=CCCCC(=O)O)O

Isomeric SMILES

CCCCC(C)(C/C=C/C1CCC(=O)C1C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C21H34O4/c1-3-4-15-21(2,25)16-9-10-17-13-14-19(22)18(17)11-7-5-6-8-12-20(23)24/h5,7,9-10,17-18,25H,3-4,6,8,11-16H2,1-2H3,(H,23,24)/b7-5+,10-9+