[(2S,3S,4S,5R,6S)-2-(bromomethyl)-6-methoxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4S,5R,6S)-2-(bromomethyl)-6-methoxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-2-(bromomethyl)-6-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] ester Formula: C28H25BrO8 MolecularWeight: 569.3973

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CBr)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H25BrO8/c1-33-28-24(37-27(32)20-15-9-4-10-16-20)23(36-26(31)19-13-7-3-8-14-19)22(21(17-29)34-28)35-25(30)18-11-5-2-6-12-18/h2-16,21-24,28H,17H2,1H3/t21-,22-,23+,24-,28+/m1/s1