sodium [(2S,3S)-3-azido-1,4-bis-(4-methylphenyl)sulfonyloxy-butan-2-yl] sulfate

Systemtic Name: sodium [(2S,3S)-3-azido-1,4-bis-(4-methylphenyl)sulfonyloxy-butan-2-yl] sulfate Openeye Name: sodium [(1S,2S)-2-azido-3-(p-tolylsulfonyloxy)-1-(p-tolylsulfonyloxymethyl)propyl] sulfate CAS Name: sodium [(2S,3S)-3-azido-1,4-bis-(4-methylphenyl)sulfonyloxybutan-2-yl] sulfate IUPAC Name: sodium [(2S,3S)-3-azido-1,4-bis-(4-methylphenyl)sulfonyloxybutan-2-yl] sulfate Traditional Name: sodium [(1S,2S)-2-azido-3-tosyloxy-1-(tosyloxymethyl)propyl] sulfate Formula: C18H20N3NaO10S3 MolecularWeight: 557.55027

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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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C18H21N3O10S3.Na/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);/q;+1/p-1/t17-,18+;/m0./s1