2-(3-sulfopropylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(3-sulfopropylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(3-sulfopropylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[(3-sulfopropylthio)methyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(3-sulfopropylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[(3-sulfopropylthio)methyl]-3H-benzimidazole-5-sulfonic acid Formula: C11H14N2O6S3 MolecularWeight: 366.43366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)CSCCCS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)CSCCCS(=O)(=O)O

InChI

InChI=1S/C11H14N2O6S3/c14-21(15,16)5-1-4-20-7-11-12-9-3-2-8(22(17,18)19)6-10(9)13-11/h2-3,6H,1,4-5,7H2,(H,12,13)(H,14,15,16)(H,17,18,19)