2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid

Systemtic Name: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid Openeye Name: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid CAS Name: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid IUPAC Name: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid Traditional Name: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid Formula: C14H12N2O6S3 MolecularWeight: 400.44988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1S(=O)(=O)O)SC(=N2)C3=CC=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1S(=O)(=O)O)SC(=N2)C3=CC=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O6S3/c1-7-6-10(24(17,18)19)11-12(13(7)25(20,21)22)23-14(16-11)8-2-4-9(15)5-3-8/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)