7-[2-(3-methyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-2-en-1-yl]hepta-3,4-dienoic acid

Systemtic Name: 7-[2-(3-methyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-2-en-1-yl]hepta-3,4-dienoic acid Openeye Name: 7-[2-(3-hydroxy-3-methyl-octyl)-5-oxo-cyclopent-2-en-1-yl]hepta-3,4-dienoic acid CAS Name: 7-[2-(3-hydroxy-3-methyloctyl)-5-oxo-1-cyclopent-2-enyl]hepta-3,4-dienoic acid IUPAC Name: 7-[2-(3-hydroxy-3-methyloctyl)-5-oxocyclopent-2-en-1-yl]hepta-3,4-dienoic acid Traditional Name: 7-[2-(3-hydroxy-3-methyl-octyl)-5-keto-cyclopent-2-en-1-yl]hepta-3,4-dienoic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCC1=CCC(=O)C1CCC=C=CCC(=O)O)O

Isomeric SMILES

CCCCCC(C)(CCC1=CCC(=O)C1CCC=C=CCC(=O)O)O

InChI

InChI=1S/C21H32O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h5,8,12,18,25H,3-4,7,9-11,13-16H2,1-2H3,(H,23,24)