[2-bromanyl-4,5-diethanoyl-4,5-bis(oxidanyl)-6-(1-oxidanyl-2-oxidanylidene-propyl)oxan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-4,5-diethanoyl-4,5-bis(oxidanyl)-6-(1-oxidanyl-2-oxidanylidene-propyl)oxan-3-yl] 4-methylbenzenesulfonate Openeye Name: [4,5-diacetyl-2-bromo-4,5-dihydroxy-6-(1-hydroxy-2-oxo-propyl)tetrahydropyran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,5-diacetyl-2-bromo-4,5-dihydroxy-6-(1-hydroxy-2-oxopropyl)-3-oxanyl] ester IUPAC Name: [4,5-diacetyl-2-bromo-4,5-dihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4,5-diacetyl-2-bromo-4,5-dihydroxy-6-(1-hydroxy-2-keto-propyl)tetrahydropyran-3-yl] ester Formula: C19H23BrO10S MolecularWeight: 523.34892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC(C(C2(C(=O)C)O)(C(=O)C)O)C(C(=O)C)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC(C(C2(C(=O)C)O)(C(=O)C)O)C(C(=O)C)O)Br

InChI

InChI=1S/C19H23BrO10S/c1-9-5-7-13(8-6-9)31(27,28)30-16-17(20)29-15(14(24)10(2)21)18(25,11(3)22)19(16,26)12(4)23/h5-8,14-17,24-26H,1-4H3