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

Systemtic Name: [(2S,3R,4S,5S)-6-bromanyl-2-methyl-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5S)-4,5-dibenzoyloxy-6-bromo-2-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5S)-4,5-dibenzoyloxy-6-bromo-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S)-4,5-dibenzoyloxy-6-bromo-2-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5S)-4,5-dibenzoyloxy-6-bromo-2-methyl-tetrahydropyran-3-yl] ester Formula: C27H23BrO7 MolecularWeight: 539.37132

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H23BrO7/c1-17-21(33-25(29)18-11-5-2-6-12-18)22(34-26(30)19-13-7-3-8-14-19)23(24(28)32-17)35-27(31)20-15-9-4-10-16-20/h2-17,21-24H,1H3/t17-,21+,22-,23-,24?/m0/s1