[5-bromanyl-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxy-oxan-3-yl] benzoate

Systemtic Name: [5-bromanyl-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxy-oxan-3-yl] benzoate Openeye Name: [5-bromo-2-(bromomethyl)-6-methoxy-4-(p-tolylsulfonyloxy)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [5-bromo-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxy-3-oxanyl] ester IUPAC Name: [5-bromo-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate Traditional Name: benzoic acid [5-bromo-2-(bromomethyl)-6-methoxy-4-tosyloxy-tetrahydropyran-3-yl] ester Formula: C21H22Br2O7S MolecularWeight: 578.26818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC(C2Br)OC)CBr)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC(C2Br)OC)CBr)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22Br2O7S/c1-13-8-10-15(11-9-13)31(25,26)30-19-17(23)21(27-2)28-16(12-22)18(19)29-20(24)14-6-4-3-5-7-14/h3-11,16-19,21H,12H2,1-2H3