[(1R,2S,5S,6S)-5-oxidanyl-3-oxidanylidene-2-(phenylcarbonyloxy)-6-phenylmethoxy-cyclohexyl] benzoate

Systemtic Name: [(1R,2S,5S,6S)-5-oxidanyl-3-oxidanylidene-2-(phenylcarbonyloxy)-6-phenylmethoxy-cyclohexyl] benzoate Openeye Name: [(1R,2S,5S,6S)-2-benzoyloxy-6-benzyloxy-5-hydroxy-3-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,5S,6S)-2-benzoyloxy-5-hydroxy-3-oxo-6-phenylmethoxycyclohexyl] ester IUPAC Name: [(1R,2S,5S,6S)-2-benzoyloxy-5-hydroxy-3-oxo-6-phenylmethoxycyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,3S,6S)-2-benzoxy-6-benzoyloxy-3-hydroxy-5-keto-cyclohexyl] ester Formula: C27H24O7 MolecularWeight: 460.47526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1=O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

C1[C@@H]([C@@H]([C@H]([C@@H](C1=O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C27H24O7/c28-21-16-22(29)24(33-26(30)19-12-6-2-7-13-19)25(34-27(31)20-14-8-3-9-15-20)23(21)32-17-18-10-4-1-5-11-18/h1-15,21,23-25,28H,16-17H2/t21-,23-,24+,25+/m0/s1