2-[4-(6-methyl-1H-benzimidazol-2-yl)-2-nitro-phenyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-2-nitro-phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-2-nitro-phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-2-nitrophenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-2-nitrophenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-2-nitro-phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C21H15N5O5S MolecularWeight: 449.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O5S/c1-11-2-6-15-17(8-11)24-20(22-15)12-3-5-14(19(9-12)26(27)28)21-23-16-7-4-13(32(29,30)31)10-18(16)25-21/h2-10H,1H3,(H,22,24)(H,23,25)(H,29,30,31)