ditert-butyl (1S,2S,4S,5S)-4-acetyloxy-5-phenylmethoxy-cyclohexane-1,2-dicarboxylate

Systemtic Name: ditert-butyl (1S,2S,4S,5S)-4-acetyloxy-5-phenylmethoxy-cyclohexane-1,2-dicarboxylate Openeye Name: ditert-butyl (1S,2S,4S,5S)-4-acetoxy-5-benzyloxy-cyclohexane-1,2-dicarboxylate CAS Name: (1S,2S,4S,5S)-4-acetyloxy-5-phenylmethoxycyclohexane-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (1S,2S,4S,5S)-4-acetyloxy-5-phenylmethoxycyclohexane-1,2-dicarboxylate Traditional Name: (1S,2S,4S,5S)-4-acetoxy-5-benzoxy-cyclohexane-1,2-dicarboxylic acid ditert-butyl ester Formula: C25H36O7 MolecularWeight: 448.54914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(CC1OCC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)O[C@H]1C[C@@H]([C@H](C[C@@H]1OCC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36O7/c1-16(26)30-21-14-19(23(28)32-25(5,6)7)18(22(27)31-24(2,3)4)13-20(21)29-15-17-11-9-8-10-12-17/h8-12,18-21H,13-15H2,1-7H3/t18-,19-,20-,21-/m0/s1