ethyl (1S,5S,6R)-6-(4-tert-butylphenyl)carbonyl-6-ethyl-2,2-dimethyl-4-oxidanylidene-3-oxabicyclo[3.1.0]hexane-5-carboxylate

Systemtic Name: ethyl (1S,5S,6R)-6-(4-tert-butylphenyl)carbonyl-6-ethyl-2,2-dimethyl-4-oxidanylidene-3-oxabicyclo[3.1.0]hexane-5-carboxylate Openeye Name: ethyl (1S,5S,6R)-6-(4-tert-butylbenzoyl)-6-ethyl-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate CAS Name: (1S,5S,6R)-6-[(4-tert-butylphenyl)-oxomethyl]-6-ethyl-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5S,6R)-6-(4-tert-butylbenzoyl)-6-ethyl-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate Traditional Name: (1S,5S,6R)-6-(4-tert-butylbenzoyl)-6-ethyl-4-keto-2,2-dimethyl-3-oxabicyclo[3.1.0]hexane-5-carboxylic acid ethyl ester Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2C1(C(=O)OC2(C)C)C(=O)OCC)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC[C@]1([C@H]2[C@@]1(C(=O)OC2(C)C)C(=O)OCC)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H30O5/c1-8-22(16(24)14-10-12-15(13-11-14)20(3,4)5)17-21(6,7)28-19(26)23(17,22)18(25)27-9-2/h10-13,17H,8-9H2,1-7H3/t17-,22+,23-/m0/s1