methyl 7-[(2R)-2-octyl-5-oxidanylidene-cyclopent-3-en-1-yl]-7-oxidanyl-heptanoate

Systemtic Name: methyl 7-[(2R)-2-octyl-5-oxidanylidene-cyclopent-3-en-1-yl]-7-oxidanyl-heptanoate Openeye Name: methyl 7-hydroxy-7-[(2R)-2-octyl-5-oxo-cyclopent-3-en-1-yl]heptanoate CAS Name: 7-hydroxy-7-[(2R)-2-octyl-5-oxo-1-cyclopent-3-enyl]heptanoic acid methyl ester IUPAC Name: methyl 7-hydroxy-7-[(2R)-2-octyl-5-oxocyclopent-3-en-1-yl]heptanoate Traditional Name: 7-hydroxy-7-[(5R)-2-keto-5-octyl-cyclopent-3-en-1-yl]enanthic acid methyl ester Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C=CC(=O)C1C(CCCCCC(=O)OC)O

Isomeric SMILES

CCCCCCCC[C@@H]1C=CC(=O)C1C(CCCCCC(=O)OC)O

InChI

InChI=1S/C21H36O4/c1-3-4-5-6-7-9-12-17-15-16-19(23)21(17)18(22)13-10-8-11-14-20(24)25-2/h15-18,21-22H,3-14H2,1-2H3/t17-,18?,21?/m1/s1