methyl (1S,2R)-2-(5-methoxy-3,3-dimethyl-5-oxidanylidene-pentyl)-2-oxidanyl-cycloheptane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-(5-methoxy-3,3-dimethyl-5-oxidanylidene-pentyl)-2-oxidanyl-cycloheptane-1-carboxylate Openeye Name: methyl (1S,2R)-2-hydroxy-2-(5-methoxy-3,3-dimethyl-5-oxo-pentyl)cycloheptanecarboxylate CAS Name: (1S,2R)-2-hydroxy-2-(5-methoxy-3,3-dimethyl-5-oxopentyl)-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-hydroxy-2-(5-methoxy-3,3-dimethyl-5-oxopentyl)cycloheptane-1-carboxylate Traditional Name: (1S,2R)-2-hydroxy-2-(5-keto-5-methoxy-3,3-dimethyl-pentyl)cycloheptanecarboxylic acid methyl ester Formula: C17H30O5 MolecularWeight: 314.4171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1(CCCCCC1C(=O)OC)O)CC(=O)OC

Isomeric SMILES

CC(C)(CC[C@@]1(CCCCC[C@@H]1C(=O)OC)O)CC(=O)OC

InChI

InChI=1S/C17H30O5/c1-16(2,12-14(18)21-3)10-11-17(20)9-7-5-6-8-13(17)15(19)22-4/h13,20H,5-12H2,1-4H3/t13-,17-/m1/s1