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

Systemtic Name: 6-nitro-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Openeye Name: 6-nitro-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid CAS Name: 6-nitro-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid IUPAC Name: 6-nitro-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Traditional Name: 6-nitro-2-[4-(6-nitro-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Formula: C20H12N6O10S2 MolecularWeight: 560.47348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3N2)[N+](=O)[O-])S(=O)(=O)O)C4=NC5=C(C=C(C=C5N4)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3N2)[N+](=O)[O-])S(=O)(=O)O)C4=NC5=C(C=C(C=C5N4)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C20H12N6O10S2/c27-25(28)11-5-13-17(15(7-11)37(31,32)33)23-19(21-13)9-1-2-10(4-3-9)20-22-14-6-12(26(29)30)8-16(18(14)24-20)38(34,35)36/h1-8H,(H,21,23)(H,22,24)(H,31,32,33)(H,34,35,36)