methyl 7-[3,3-dimethyl-4-oxidanyl-2-oxidanylidene-5-(3-oxidanyloctyl)cyclopentyl]hept-5-ynoate

Systemtic Name: methyl 7-[3,3-dimethyl-4-oxidanyl-2-oxidanylidene-5-(3-oxidanyloctyl)cyclopentyl]hept-5-ynoate Openeye Name: methyl 7-[4-hydroxy-5-(3-hydroxyoctyl)-3,3-dimethyl-2-oxo-cyclopentyl]hept-5-ynoate CAS Name: 7-[4-hydroxy-5-(3-hydroxyoctyl)-3,3-dimethyl-2-oxocyclopentyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[4-hydroxy-5-(3-hydroxyoctyl)-3,3-dimethyl-2-oxocyclopentyl]hept-5-ynoate Traditional Name: 7-[4-hydroxy-5-(3-hydroxyoctyl)-2-keto-3,3-dimethyl-cyclopentyl]hept-5-ynoic acid methyl ester Formula: C23H38O5 MolecularWeight: 394.54482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1C(C(=O)C(C1O)(C)C)CC#CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(CCC1C(C(=O)C(C1O)(C)C)CC#CCCCC(=O)OC)O

InChI

InChI=1S/C23H38O5/c1-5-6-9-12-17(24)15-16-19-18(21(26)23(2,3)22(19)27)13-10-7-8-11-14-20(25)28-4/h17-19,22,24,27H,5-6,8-9,11-16H2,1-4H3