3-[2-(3-sulfopropylsulfanyl)benzimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-(3-sulfopropylsulfanyl)benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-(3-sulfopropylsulfanyl)benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-(3-sulfopropylthio)-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[2-(3-sulfopropylsulfanyl)benzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-(3-sulfopropylthio)benzimidazol-1-yl]propane-1-sulfonic acid Formula: C13H18N2O6S3 MolecularWeight: 394.48682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCCS(=O)(=O)O)SCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCCS(=O)(=O)O)SCCCS(=O)(=O)O

InChI

InChI=1S/C13H18N2O6S3/c16-23(17,18)9-3-7-15-12-6-2-1-5-11(12)14-13(15)22-8-4-10-24(19,20)21/h1-2,5-6H,3-4,7-10H2,(H,16,17,18)(H,19,20,21)