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

Systemtic Name: 2-[2-[2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]ethylsulfanyl]ethylsulfanyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[2-[2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]ethylsulfanyl]ethylsulfanyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[2-[2-[(6-sulfo-1H-benzimidazol-2-yl)thio]ethylthio]ethylthio]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[2-[2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]ethylsulfanyl]ethylsulfanyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[2-[2-[(6-sulfo-1H-benzimidazol-2-yl)thio]ethylthio]ethylthio]-3H-benzimidazole-5-sulfonic acid Formula: C18H18N4O6S5 MolecularWeight: 546.68372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCCSCCSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCCSCCSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C18H18N4O6S5/c23-32(24,25)11-1-3-13-15(9-11)21-17(19-13)30-7-5-29-6-8-31-18-20-14-4-2-12(33(26,27)28)10-16(14)22-18/h1-4,9-10H,5-8H2,(H,19,21)(H,20,22)(H,23,24,25)(H,26,27,28)