1-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid

Systemtic Name: 1-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid Openeye Name: 1-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid CAS Name: 1-(1H-benzimidazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid IUPAC Name: 1-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid Traditional Name: 1-(1H-benzimidazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)(C(=O)O)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1CCC(C(C1)C(=O)O)(C(=O)O)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H16N2O4S/c18-12(19)9-5-3-4-8-15(9,13(20)21)22-14-16-10-6-1-2-7-11(10)17-14/h1-2,6-7,9H,3-5,8H2,(H,16,17)(H,18,19)(H,20,21)