ditert-butyl (1S,2S,3R,4S)-4-methyl-4-oxidanyl-6-oxidanylidene-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate

Systemtic Name: ditert-butyl (1S,2S,3R,4S)-4-methyl-4-oxidanyl-6-oxidanylidene-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate Openeye Name: ditert-butyl (1S,2S,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-[(E)-styryl]cyclohexane-1,3-dicarboxylate CAS Name: (1S,2S,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (1S,2S,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate Traditional Name: (1S,2S,3R,4S)-4-hydroxy-6-keto-4-methyl-2-[(E)-styryl]cyclohexane-1,3-dicarboxylic acid ditert-butyl ester Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C=CC2=CC=CC=C2)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)/C=C/C2=CC=CC=C2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C25H34O6/c1-23(2,3)30-21(27)19-17(14-13-16-11-9-8-10-12-16)20(22(28)31-24(4,5)6)25(7,29)15-18(19)26/h8-14,17,19-20,29H,15H2,1-7H3/b14-13+/t17-,19+,20+,25+/m1/s1