2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C14H12N2O3S2 MolecularWeight: 320.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)O)SC(=N2)C3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)SC(=N2)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H12N2O3S2/c1-8-6-11-13(12(7-8)21(17,18)19)20-14(16-11)9-2-4-10(15)5-3-9/h2-7H,15H2,1H3,(H,17,18,19)