(E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-en-6-ynyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-en-6-ynyl]-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-en-6-ynyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-en-6-ynyl]-5-keto-cyclopent-3-en-1-yl]hept-5-enoic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)(C)C(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,12-15,17-18,20,24H,7,9-11,16H2,1-3H3,(H,25,26)/b8-6+,15-13+