[1-(1H-benzimidazol-2-ylsulfanyl)-1,3-dicarboxyoxy-propan-2-yl] hydrogen carbonate

Systemtic Name: [1-(1H-benzimidazol-2-ylsulfanyl)-1,3-dicarboxyoxy-propan-2-yl] hydrogen carbonate Openeye Name: [2-(1H-benzimidazol-2-ylsulfanyl)-2-carboxyoxy-1-(carboxyoxymethyl)ethyl] hydrogen carbonate CAS Name: carbonic acid [1-(1H-benzimidazol-2-ylthio)-1,3-dicarboxyoxypropan-2-yl] ester IUPAC Name: [1-(1H-benzimidazol-2-ylsulfanyl)-1,3-dicarboxyoxypropan-2-yl] hydrogen carbonate Traditional Name: carbonic acid [2-(1H-benzimidazol-2-ylthio)-2-carboxyoxy-1-(carboxyoxymethyl)ethyl] ester Formula: C13H12N2O9S MolecularWeight: 372.30738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(C(COC(=O)O)OC(=O)O)OC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(C(COC(=O)O)OC(=O)O)OC(=O)O

InChI

InChI=1S/C13H12N2O9S/c16-11(17)22-5-8(23-12(18)19)9(24-13(20)21)25-10-14-6-3-1-2-4-7(6)15-10/h1-4,8-9H,5H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)