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

Systemtic Name: 2-[3-nitro-4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[3-nitro-4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[3-nitro-4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[3-nitro-4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[3-nitro-4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C20H13N5O8S2 MolecularWeight: 515.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-])C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-])C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C20H13N5O8S2/c26-25(27)18-7-10(19-21-14-5-2-11(34(28,29)30)8-16(14)23-19)1-4-13(18)20-22-15-6-3-12(35(31,32)33)9-17(15)24-20/h1-9H,(H,21,23)(H,22,24)(H,28,29,30)(H,31,32,33)