(2,6-ditert-butyl-4-methyl-phenyl) (1R,5R)-4-oxidanylidenebicyclo[3.1.0]hexane-5-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-phenyl) (1R,5R)-4-oxidanylidenebicyclo[3.1.0]hexane-5-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-phenyl) (1R,5R)-4-oxobicyclo[3.1.0]hexane-5-carboxylate CAS Name: (1R,5R)-4-oxo-5-bicyclo[3.1.0]hexanecarboxylic acid (2,6-ditert-butyl-4-methylphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylphenyl) (1R,5R)-4-oxobicyclo[3.1.0]hexane-5-carboxylate Traditional Name: (1R,5R)-4-ketobicyclo[3.1.0]hexane-5-carboxylic acid (2,6-ditert-butyl-4-methyl-phenyl) ester Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C23CC2CCC3=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)[C@]23C[C@H]2CCC3=O)C(C)(C)C

InChI

InChI=1S/C22H30O3/c1-13-10-15(20(2,3)4)18(16(11-13)21(5,6)7)25-19(24)22-12-14(22)8-9-17(22)23/h10-11,14H,8-9,12H2,1-7H3/t14-,22-/m1/s1