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

Systemtic Name: 2-[3-(6-sulfo-1H-benzimidazol-2-yl)propyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[3-(6-sulfo-1H-benzimidazol-2-yl)propyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[3-(6-sulfo-1H-benzimidazol-2-yl)propyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[3-(6-sulfo-1H-benzimidazol-2-yl)propyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[3-(6-sulfo-1H-benzimidazol-2-yl)propyl]-3H-benzimidazole-5-sulfonic acid Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)CCCC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)CCCC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C17H16N4O6S2/c22-28(23,24)10-4-6-12-14(8-10)20-16(18-12)2-1-3-17-19-13-7-5-11(29(25,26)27)9-15(13)21-17/h4-9H,1-3H2,(H,18,20)(H,19,21)(H,22,23,24)(H,25,26,27)