(E)-7-[3-methyl-2-[(E)-3-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-methyl-2-[(E)-3-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(E)-3-hydroxy-3-methyl-oct-1-en-6-ynyl]-3-methyl-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-3-hydroxy-3-methyloct-1-en-6-ynyl]-3-methyl-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-3-hydroxy-3-methyloct-1-en-6-ynyl]-3-methyl-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-3-hydroxy-3-methyl-oct-1-en-6-ynyl]-5-keto-3-methyl-cyclopentyl]hept-5-enoic acid Formula: C22H32O4 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O4/c1-4-5-10-14-22(3,26)15-13-18-17(2)16-20(23)19(18)11-8-6-7-9-12-21(24)25/h6,8,13,15,17-19,26H,7,9-12,14,16H2,1-3H3,(H,24,25)/b8-6+,15-13+