8-(1H-benzimidazol-2-ylsulfanyl)-1,1,2,2-tetramethyl-octane-1,3,5,7-tetracarboxylic acid

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)-1,1,2,2-tetramethyl-octane-1,3,5,7-tetracarboxylic acid Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)-1,1,2,2-tetramethyl-octane-1,3,5,7-tetracarboxylic acid CAS Name: 8-(1H-benzimidazol-2-ylthio)-1,1,2,2-tetramethyloctane-1,3,5,7-tetracarboxylic acid IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)-1,1,2,2-tetramethyloctane-1,3,5,7-tetracarboxylic acid Traditional Name: 8-(1H-benzimidazol-2-ylthio)-1,1,2,2-tetramethyl-octane-1,3,5,7-tetracarboxylic acid Formula: C23H30N2O8S MolecularWeight: 494.5579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O8S/c1-22(2,23(3,4)20(32)33)14(19(30)31)10-12(17(26)27)9-13(18(28)29)11-34-21-24-15-7-5-6-8-16(15)25-21/h5-8,12-14H,9-11H2,1-4H3,(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)