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

Systemtic Name: 6-methyl-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Openeye Name: 6-methyl-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid CAS Name: 6-methyl-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid IUPAC Name: 6-methyl-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Traditional Name: 6-methyl-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Formula: C21H15N5O8S2 MolecularWeight: 529.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(N2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5N4)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(N2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5N4)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C21H15N5O8S2/c1-10-6-14-18(16(7-10)35(29,30)31)24-20(22-14)11-2-4-12(5-3-11)21-23-15-8-13(26(27)28)9-17(19(15)25-21)36(32,33)34/h2-9H,1H3,(H,22,24)(H,23,25)(H,29,30,31)(H,32,33,34)