methyl (3S,5R)-2-methyl-3,5-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: methyl (3S,5R)-2-methyl-3,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: methyl (3S,5R)-3,5-dihydroxy-2-methyl-cyclohexene-1-carboxylate CAS Name: (3S,5R)-3,5-dihydroxy-2-methyl-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3S,5R)-3,5-dihydroxy-2-methylcyclohexene-1-carboxylate Traditional Name: (3S,5R)-3,5-dihydroxy-2-methyl-cyclohexene-1-carboxylic acid methyl ester Formula: C9H14O4 MolecularWeight: 186.20506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1O)O)C(=O)OC

Isomeric SMILES

CC1=C(C[C@H](C[C@@H]1O)O)C(=O)OC

InChI

InChI=1S/C9H14O4/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h6,8,10-11H,3-4H2,1-2H3/t6-,8+/m1/s1