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

Systemtic Name: (E)-7-[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]-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-3-hydroxy-3-methyloct-1-en-6-ynyl]-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-3-hydroxy-3-methyloct-1-en-6-ynyl]-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-3-hydroxy-3-methyl-oct-1-en-6-ynyl]-5-keto-cyclopentyl]hept-5-enoic acid Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCC(C)(C=CC1CCC(=O)C1CC=CCCCC(=O)O)O

Isomeric SMILES

CC#CCCC(C)(/C=C/C1CCC(=O)C1C/C=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/h5,7,14,16-18,25H,6,8-13,15H2,1-2H3,(H,23,24)/b7-5+,16-14+