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

Systemtic Name: 2-(3-sulfopropylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(3-sulfopropylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[(3-sulfopropylthio)methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-(3-sulfopropylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[(3-sulfopropylthio)methyl]-3H-benzimidazole-5-carboxylic acid Formula: C12H14N2O5S2 MolecularWeight: 330.37996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=N2)CSCCCS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=N2)CSCCCS(=O)(=O)O

InChI

InChI=1S/C12H14N2O5S2/c15-12(16)8-2-3-9-10(6-8)14-11(13-9)7-20-4-1-5-21(17,18)19/h2-3,6H,1,4-5,7H2,(H,13,14)(H,15,16)(H,17,18,19)