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

Systemtic Name: [(2S,3S,4R,6S)-6-bromanyl-2-methyl-5-oxidanylidene-4-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,6S)-4-benzyloxy-6-bromo-2-methyl-5-oxo-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,6S)-6-bromo-2-methyl-5-oxo-4-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6S)-6-bromo-2-methyl-5-oxo-4-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,6S)-4-benzoxy-6-bromo-5-keto-2-methyl-tetrahydropyran-3-yl] ester Formula: C20H19BrO5 MolecularWeight: 419.26586

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=O)C(O1)Br)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H]([C@H](C(=O)[C@@H](O1)Br)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19BrO5/c1-13-17(26-20(23)15-10-6-3-7-11-15)18(16(22)19(21)25-13)24-12-14-8-4-2-5-9-14/h2-11,13,17-19H,12H2,1H3/t13-,17-,18-,19+/m0/s1