(E)-7-[2-[(1E)-7-methyl-3-oxidanyl-octa-1,6-dienyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-[(1E)-7-methyl-3-oxidanyl-octa-1,6-dienyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(1E)-3-hydroxy-7-methyl-octa-1,6-dienyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[2-[(1E)-3-hydroxy-7-methylocta-1,6-dienyl]-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(1E)-3-hydroxy-7-methylocta-1,6-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(1E)-3-hydroxy-7-methyl-octa-1,6-dienyl]-5-keto-cyclopent-3-en-1-yl]hept-5-enoic acid Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O)C

Isomeric SMILES

CC(=CCCC(/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)O)O)C

InChI

InChI=1S/C21H30O4/c1-16(2)8-7-9-18(22)14-12-17-13-15-20(23)19(17)10-5-3-4-6-11-21(24)25/h3,5,8,12-15,17-19,22H,4,6-7,9-11H2,1-2H3,(H,24,25)/b5-3+,14-12+