2-[2-(carboxymethylsulfanyl)benzimidazol-1-yl]ethanesulfinate

Systemtic Name: 2-[2-(carboxymethylsulfanyl)benzimidazol-1-yl]ethanesulfinate Openeye Name: 2-[2-(carboxymethylsulfanyl)benzimidazol-1-yl]ethanesulfinate CAS Name: 2-[2-(carboxymethylthio)-1-benzimidazolyl]ethanesulfinate IUPAC Name: 2-[2-(carboxymethylsulfanyl)benzimidazol-1-yl]ethanesulfinate Traditional Name: 2-[2-(carboxymethylthio)benzimidazol-1-yl]ethanesulfinate Formula: C11H11N2O4S2- MolecularWeight: 299.34604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCS(=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCS(=O)[O-])SCC(=O)O

InChI

InChI=1S/C11H12N2O4S2/c14-10(15)7-18-11-12-8-3-1-2-4-9(8)13(11)5-6-19(16)17/h1-4H,5-7H2,(H,14,15)(H,16,17)/p-1