methyl (1S,2R,6R)-6-methyl-2-oxidanyl-cycloheptane-1-carboxylate

Systemtic Name: methyl (1S,2R,6R)-6-methyl-2-oxidanyl-cycloheptane-1-carboxylate Openeye Name: methyl (1S,2R,6R)-2-hydroxy-6-methyl-cycloheptanecarboxylate CAS Name: (1S,2R,6R)-2-hydroxy-6-methyl-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,6R)-2-hydroxy-6-methylcycloheptane-1-carboxylate Traditional Name: (1S,2R,6R)-2-hydroxy-6-methyl-cycloheptanecarboxylic acid methyl ester Formula: C10H18O3 MolecularWeight: 186.24812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(C1)C(=O)OC)O

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@H](C1)C(=O)OC)O

InChI

InChI=1S/C10H18O3/c1-7-4-3-5-9(11)8(6-7)10(12)13-2/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-/m1/s1