4-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid CAS Name: 4-(1H-benzimidazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid Traditional Name: 4-(1H-benzimidazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1SC2=NC3=CC=CC=C3N2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(C(CC1SC2=NC3=CC=CC=C3N2)C(=O)O)C(=O)O

InChI

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