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

Systemtic Name: ditert-butyl (1R,2R,3R,4R)-2-(4-ethylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: ditert-butyl (1R,2R,3R,4R)-2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1R,2R,3R,4R)-2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (1R,2R,3R,4R)-2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1R,2R,3R,4R)-2-(4-ethylphenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid ditert-butyl ester Formula: C25H36O6 MolecularWeight: 432.54974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OC(C)(C)C)(C)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2[C@H](C(=O)C[C@@]([C@@H]2C(=O)OC(C)(C)C)(C)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36O6/c1-9-15-10-12-16(13-11-15)18-19(21(27)30-23(2,3)4)17(26)14-25(8,29)20(18)22(28)31-24(5,6)7/h10-13,18-20,29H,9,14H2,1-8H3/t18-,19-,20-,25+/m0/s1