6-methyl-2-[(2-methyl-4-oxidanyliodanuidyl-phenyl)diazenyl]-4-phenyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 6-methyl-2-[(2-methyl-4-oxidanyliodanuidyl-phenyl)diazenyl]-4-phenyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(4-hydroxyiodanuidyl-2-methyl-phenyl)azo-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(4-hydroxyiodanuidyl-2-methylphenyl)azo-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[(4-hydroxyiodanuidyl-2-methylphenyl)diazenyl]-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(4-hydroxyiodanuidyl-2-methyl-phenyl)azo-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid Formula: C21H17IN3O4S2- MolecularWeight: 566.41185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[I-]O)N=NC2=NC3=C(S2)C(=C(C=C3C4=CC=CC=C4)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[I-]O)N=NC2=NC3=C(S2)C(=C(C=C3C4=CC=CC=C4)C)S(=O)(=O)O

InChI

InChI=1S/C21H17IN3O4S2/c1-12-10-15(22-26)8-9-17(12)24-25-21-23-18-16(14-6-4-3-5-7-14)11-13(2)20(19(18)30-21)31(27,28)29/h3-11,26H,1-2H3,(H,27,28,29)/q-1