[(1R,2S,3R,4S,5S)-5-chloranyl-2,3,4-tris(phenylcarbonyloxy)cyclohexyl] benzoate

Systemtic Name: [(1R,2S,3R,4S,5S)-5-chloranyl-2,3,4-tris(phenylcarbonyloxy)cyclohexyl] benzoate Openeye Name: [(1R,2S,3R,4S,5S)-2,3,4-tribenzoyloxy-5-chloro-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,3R,4S,5S)-2,3,4-tribenzoyloxy-5-chlorocyclohexyl] ester IUPAC Name: [(1R,2S,3R,4S,5S)-2,3,4-tribenzoyloxy-5-chlorocyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,3R,4S,5S)-2,3,4-tribenzoyloxy-5-chloro-cyclohexyl] ester Formula: C34H27ClO8 MolecularWeight: 599.02638

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1Cl)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1Cl)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H27ClO8/c35-26-21-27(40-31(36)22-13-5-1-6-14-22)29(42-33(38)24-17-9-3-10-18-24)30(43-34(39)25-19-11-4-12-20-25)28(26)41-32(37)23-15-7-2-8-16-23/h1-20,26-30H,21H2/t26-,27+,28+,29-,30-/m0/s1