2-(4-azanyl-3-sulfo-phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(4-azanyl-3-sulfo-phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(4-amino-3-sulfo-phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(4-amino-3-sulfo-phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C14H12N2O6S3 MolecularWeight: 400.44988

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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)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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