7-[2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopenten-1-yl]hepta-4,5-dienoic acid

Systemtic Name: 7-[2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopenten-1-yl]hepta-4,5-dienoic acid Openeye Name: 7-[2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopenten-1-yl]hepta-4,5-dienoic acid CAS Name: 7-[2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxo-1-cyclopentenyl]hepta-4,5-dienoic acid IUPAC Name: 7-[2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopenten-1-yl]hepta-4,5-dienoic acid Traditional Name: 7-[2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-cyclopenten-1-yl]hepta-4,5-dienoic acid Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C=CC1=C(C(=O)CC1)CC=C=CCCC(=O)O)O

Isomeric SMILES

CCCCCC(C)(/C=C/C1=C(C(=O)CC1)CC=C=CCCC(=O)O)O

InChI

InChI=1S/C21H30O4/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/h6-7,14,16,25H,3-4,8-13,15H2,1-2H3,(H,23,24)/b16-14+