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

Systemtic Name: [(3R,4R,5R,6R)-2,5-diacetyloxy-4-bromanyl-6-methyl-oxan-3-yl] benzoate Openeye Name: [(3R,4R,5R,6R)-2,5-diacetoxy-4-bromo-6-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3R,4R,5R,6R)-2,5-diacetyloxy-4-bromo-6-methyl-3-oxanyl] ester IUPAC Name: [(3R,4R,5R,6R)-2,5-diacetyloxy-4-bromo-6-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4R,5R,6R)-2,5-diacetoxy-4-bromo-6-methyl-tetrahydropyran-3-yl] ester Formula: C17H19BrO7 MolecularWeight: 415.23256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrO7/c1-9-14(23-10(2)19)13(18)15(17(22-9)24-11(3)20)25-16(21)12-7-5-4-6-8-12/h4-9,13-15,17H,1-3H3/t9-,13-,14-,15+,17?/m1/s1