butyl (1S,2S,6S)-4,4-dimethyl-2-oxidanyl-5-oxabicyclo[4.1.0]heptane-6-carboxylate

Systemtic Name: butyl (1S,2S,6S)-4,4-dimethyl-2-oxidanyl-5-oxabicyclo[4.1.0]heptane-6-carboxylate Openeye Name: butyl (1S,2S,6S)-2-hydroxy-4,4-dimethyl-5-oxabicyclo[4.1.0]heptane-6-carboxylate CAS Name: (1S,2S,6S)-2-hydroxy-4,4-dimethyl-5-oxabicyclo[4.1.0]heptane-6-carboxylic acid butyl ester IUPAC Name: butyl (1S,2S,6S)-2-hydroxy-4,4-dimethyl-5-oxabicyclo[4.1.0]heptane-6-carboxylate Traditional Name: (1S,2S,6S)-2-hydroxy-4,4-dimethyl-5-oxabicyclo[4.1.0]heptane-6-carboxylic acid butyl ester Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C12CC1C(CC(O2)(C)C)O

Isomeric SMILES

CCCCOC(=O)[C@]12C[C@H]1[C@H](CC(O2)(C)C)O

InChI

InChI=1S/C13H22O4/c1-4-5-6-16-11(15)13-7-9(13)10(14)8-12(2,3)17-13/h9-10,14H,4-8H2,1-3H3/t9-,10-,13-/m0/s1