7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-en-6-ynyl]-3-methyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-en-6-ynyl]-3-methyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-en-6-ynyl]-3-methyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-en-6-ynyl]-3-methyl-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-en-6-ynyl]-3-methyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-en-6-ynyl]-5-keto-3-methyl-cyclopentyl]enanthic acid Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)(C)C(C=CC1C(CC(=O)C1CCCCCCC(=O)O)C)O

Isomeric SMILES

CC#CCC(C)(C)C(/C=C/C1C(CC(=O)C1CCCCCCC(=O)O)C)O

InChI

InChI=1S/C23H36O4/c1-5-6-15-23(3,4)21(25)14-13-18-17(2)16-20(24)19(18)11-9-7-8-10-12-22(26)27/h13-14,17-19,21,25H,7-12,15-16H2,1-4H3,(H,26,27)/b14-13+