methyl 7-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-ynoate

Systemtic Name: methyl 7-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-ynoate Openeye Name: methyl 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-ynoate CAS Name: 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-ynoate Traditional Name: 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]hept-5-ynoic acid methyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(=O)C1CC#CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(/C=C/C1CCC(=O)C1CC#CCCCC(=O)OC)O

InChI

InChI=1S/C21H32O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h13,15,17-19,22H,3-4,6-7,9-12,14,16H2,1-2H3/b15-13+