[3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenyl] [(1R,4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonate

Systemtic Name: [3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenyl] [(1R,4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonate Openeye Name: [2,6-bis(2-isopropylphenyl)-3,5-dimethyl-phenyl] [(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonate CAS Name: [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid [3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenyl] ester IUPAC Name: [3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenyl] [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate Traditional Name: [(1S,4R)-2-keto-7,7-dimethyl-norbornan-1-yl]methanesulfonic acid [3,5-dimethyl-2,6-bis(o-cumenyl)phenyl] ester Formula: C36H44O4S MolecularWeight: 572.79716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2=CC=CC=C2C(C)C)OS(=O)(=O)CC34CCC(C3(C)C)CC4=O)C5=CC=CC=C5C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C2=CC=CC=C2C(C)C)OS(=O)(=O)C[C@@]34CC[C@@H](C3(C)C)CC4=O)C5=CC=CC=C5C(C)C)C

InChI

InChI=1S/C36H44O4S/c1-22(2)27-13-9-11-15-29(27)32-24(5)19-25(6)33(30-16-12-10-14-28(30)23(3)4)34(32)40-41(38,39)21-36-18-17-26(20-31(36)37)35(36,7)8/h9-16,19,22-23,26H,17-18,20-21H2,1-8H3/t26-,36-/m1/s1