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

Systemtic Name: ditert-butyl (1S,2S,3R,4S)-2-(4-hydroxyphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: ditert-butyl (1S,2S,3R,4S)-4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2S,3R,4S)-4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (1S,2S,3R,4S)-4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2S,3R,4S)-4-hydroxy-2-(4-hydroxyphenyl)-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid ditert-butyl ester Formula: C23H32O7 MolecularWeight: 420.49598

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H32O7/c1-21(2,3)29-19(26)17-15(25)12-23(7,28)18(20(27)30-22(4,5)6)16(17)13-8-10-14(24)11-9-13/h8-11,16-18,24,28H,12H2,1-7H3/t16-,17-,18+,23+/m1/s1