[3-azanyl-4-(4-methylphenyl)sulfonyl-phenyl] hydrogen sulfate

Systemtic Name: [3-azanyl-4-(4-methylphenyl)sulfonyl-phenyl] hydrogen sulfate Openeye Name: [3-amino-4-(p-tolylsulfonyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-amino-4-(4-methylphenyl)sulfonylphenyl] ester IUPAC Name: [3-amino-4-(4-methylphenyl)sulfonylphenyl] hydrogen sulfate Traditional Name: sulfuric acid (3-amino-4-tosyl-phenyl) ester Formula: C13H13NO6S2 MolecularWeight: 343.37542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)OS(=O)(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)OS(=O)(=O)O)N

InChI

InChI=1S/C13H13NO6S2/c1-9-2-5-11(6-3-9)21(15,16)13-7-4-10(8-12(13)14)20-22(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)