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

Systemtic Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)butyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)butyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)butyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)butyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)butyl]-3H-benzimidazole-5-sulfonic acid Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)CCCCC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)CCCCC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C18H18N4O6S2/c23-29(24,25)11-5-7-13-15(9-11)21-17(19-13)3-1-2-4-18-20-14-8-6-12(30(26,27)28)10-16(14)22-18/h5-10H,1-4H2,(H,19,21)(H,20,22)(H,23,24,25)(H,26,27,28)