[2-(4-aminophenyl)-6-methyl-1,3-benzothiazol-7-yl] hydrogen sulfate

Systemtic Name: [2-(4-aminophenyl)-6-methyl-1,3-benzothiazol-7-yl] hydrogen sulfate Openeye Name: [2-(4-aminophenyl)-6-methyl-1,3-benzothiazol-7-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(4-aminophenyl)-6-methyl-1,3-benzothiazol-7-yl] ester IUPAC Name: [2-(4-aminophenyl)-6-methyl-1,3-benzothiazol-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(4-aminophenyl)-6-methyl-1,3-benzothiazol-7-yl] ester Formula: C14H12N2O4S2 MolecularWeight: 336.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)OS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)OS(=O)(=O)O

InChI

InChI=1S/C14H12N2O4S2/c1-8-2-7-11-13(12(8)20-22(17,18)19)21-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)