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

Systemtic Name: [2-bromanyl-4,5-diethanoyl-4,5-bis(oxidanyl)-6-(1-oxidanyl-2-oxidanylidene-propyl)oxan-3-yl] (4-methylphenyl)methanesulfonate Openeye Name: [4,5-diacetyl-2-bromo-4,5-dihydroxy-6-(1-hydroxy-2-oxo-propyl)tetrahydropyran-3-yl] p-tolylmethanesulfonate CAS Name: (4-methylphenyl)methanesulfonic 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-methylphenyl)methanesulfonate Traditional Name: p-tolylmethanesulfonic acid [4,5-diacetyl-2-bromo-4,5-dihydroxy-6-(1-hydroxy-2-keto-propyl)tetrahydropyran-3-yl] ester Formula: C20H25BrO10S MolecularWeight: 537.3755

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H25BrO10S/c1-10-5-7-14(8-6-10)9-32(28,29)31-17-18(21)30-16(15(25)11(2)22)19(26,12(3)23)20(17,27)13(4)24/h5-8,15-18,25-27H,9H2,1-4H3