[(2S,3S)-2-azido-4-(4-methylphenyl)sulfonyloxy-3-sulfooxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-azido-4-(4-methylphenyl)sulfonyloxy-3-sulfooxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-2-azido-4-(p-tolylsulfonyloxy)-3-sulfooxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-azido-4-(4-methylphenyl)sulfonyloxy-3-sulfooxybutyl] ester IUPAC Name: [(2S,3S)-2-azido-4-(4-methylphenyl)sulfonyloxy-3-sulfooxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-azido-3-sulfoxy-4-tosyloxy-butyl] ester Formula: C18H21N3O10S3 MolecularWeight: 535.56844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(COS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)O)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]([C@@H](COS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C18H21N3O10S3/c1-13-3-7-15(8-4-13)32(22,23)29-11-17(20-21-19)18(31-34(26,27)28)12-30-33(24,25)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3,(H,26,27,28)/t17-,18+/m0/s1