methyl 3-(3-methylbutan-2-yl)-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 3-(3-methylbutan-2-yl)-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylate Openeye Name: methyl 3-(1,2-dimethylpropyl)-1,4,5-trihydroxy-cyclohexanecarboxylate CAS Name: 1,3,4-trihydroxy-5-(3-methylbutan-2-yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1,3,4-trihydroxy-5-(3-methylbutan-2-yl)cyclohexane-1-carboxylate Traditional Name: 3-(1,2-dimethylpropyl)-1,4,5-trihydroxy-cyclohexanecarboxylic acid methyl ester Formula: C13H24O5 MolecularWeight: 260.32666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C1CC(CC(C1O)O)(C(=O)OC)O

Isomeric SMILES

CC(C)C(C)C1CC(CC(C1O)O)(C(=O)OC)O

InChI

InChI=1S/C13H24O5/c1-7(2)8(3)9-5-13(17,12(16)18-4)6-10(14)11(9)15/h7-11,14-15,17H,5-6H2,1-4H3