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

Systemtic Name: 2-[4-[[2-iodanyl-3-(methylamino)phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-[4-[2-iodo-3-(methylamino)phenyl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-[4-[2-iodo-3-(methylamino)phenyl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[4-[[2-iodo-3-(methylamino)phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-[4-[2-iodo-3-(methylamino)phenyl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C21H17IN4O3S2 MolecularWeight: 564.41915

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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=NC4=C(C(=CC=C4)NC)I)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4=C(C(=CC=C4)NC)I)S(=O)(=O)O

InChI

InChI=1S/C21H17IN4O3S2/c1-12-6-11-17-19(20(12)31(27,28)29)30-21(24-17)13-7-9-14(10-8-13)25-26-16-5-3-4-15(23-2)18(16)22/h3-11,23H,1-2H3,(H,27,28,29)