methyl 3-(3-methylbutan-2-yl)-4,5-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: methyl 3-(3-methylbutan-2-yl)-4,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: methyl 3-(1,2-dimethylpropyl)-4,5-dihydroxy-cyclohexene-1-carboxylate CAS Name: 4,5-dihydroxy-3-(3-methylbutan-2-yl)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dihydroxy-3-(3-methylbutan-2-yl)cyclohexene-1-carboxylate Traditional Name: 3-(1,2-dimethylpropyl)-4,5-dihydroxy-cyclohexene-1-carboxylic acid methyl ester Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C1C=C(CC(C1O)O)C(=O)OC

Isomeric SMILES

CC(C)C(C)C1C=C(CC(C1O)O)C(=O)OC

InChI

InChI=1S/C13H22O4/c1-7(2)8(3)10-5-9(13(16)17-4)6-11(14)12(10)15/h5,7-8,10-12,14-15H,6H2,1-4H3