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

Systemtic Name: methyl 7-[2-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-ynoate Openeye Name: methyl 7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-ynoate CAS Name: 7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-ynoate Traditional Name: 7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-ynoic acid methyl ester Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O4/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/h13,15,17-20,22-23H,3-4,6-7,9-12,14,16H2,1-2H3/b15-13+