ditert-butyl (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: ditert-butyl (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: ditert-butyl (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid ditert-butyl ester Formula: C27H40O6 MolecularWeight: 460.6029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@@]1(CC(=O)[C@H]([C@@H]([C@H]1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C27H40O6/c1-24(2,3)17-13-11-16(12-14-17)19-20(22(29)32-25(4,5)6)18(28)15-27(10,31)21(19)23(30)33-26(7,8)9/h11-14,19-21,31H,15H2,1-10H3/t19-,20+,21-,27-/m0/s1