[3,4,6-tris(oxidanyl)-5-(2-oxidanylideneethylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3,4,6-tris(oxidanyl)-5-(2-oxidanylideneethylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3,4,6-trihydroxy-5-(2-oxoethylamino)tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,4,6-trihydroxy-5-(2-oxoethylamino)-2-oxanyl]methyl ester IUPAC Name: [3,4,6-trihydroxy-5-(2-oxoethylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3,4,6-trihydroxy-5-(2-ketoethylamino)tetrahydropyran-2-yl]methyl ester Formula: C15H21NO8S MolecularWeight: 375.39414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)O)NCC=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)O)NCC=O)O)O

InChI

InChI=1S/C15H21NO8S/c1-9-2-4-10(5-3-9)25(21,22)23-8-11-13(18)14(19)12(15(20)24-11)16-6-7-17/h2-5,7,11-16,18-20H,6,8H2,1H3