4-(1H-benzimidazol-2-ylsulfanyl)-1,1,2-trimethyl-butane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1,1,2-trimethyl-butane-1,2,3-tricarboxylic acid Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1,1,2-trimethyl-butane-1,2,3-tricarboxylic acid CAS Name: 4-(1H-benzimidazol-2-ylthio)-1,1,2-trimethylbutane-1,2,3-tricarboxylic acid IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1,1,2-trimethylbutane-1,2,3-tricarboxylic acid Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1,1,2-trimethyl-butane-1,2,3-tricarboxylic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)C(C)(C(CSC1=NC2=CC=CC=C2N1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C(=O)O)C(C)(C(CSC1=NC2=CC=CC=C2N1)C(=O)O)C(=O)O

InChI

InChI=1S/C17H20N2O6S/c1-16(2,13(22)23)17(3,14(24)25)9(12(20)21)8-26-15-18-10-6-4-5-7-11(10)19-15/h4-7,9H,8H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)