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

Systemtic Name: 2-[5-(6-sulfo-1H-benzimidazol-2-yl)furan-2-yl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[5-(6-sulfo-1H-benzimidazol-2-yl)-2-furyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[5-(6-sulfo-1H-benzimidazol-2-yl)-2-furanyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[5-(6-sulfo-1H-benzimidazol-2-yl)furan-2-yl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[5-(6-sulfo-1H-benzimidazol-2-yl)-2-furyl]-3H-benzimidazole-5-sulfonic acid Formula: C18H12N4O7S2 MolecularWeight: 460.44048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)C3=CC=C(O3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)C3=CC=C(O3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C18H12N4O7S2/c23-30(24,25)9-1-3-11-13(7-9)21-17(19-11)15-5-6-16(29-15)18-20-12-4-2-10(31(26,27)28)8-14(12)22-18/h1-8H,(H,19,21)(H,20,22)(H,23,24,25)(H,26,27,28)