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

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylic acid Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylic acid CAS Name: 8-(1H-benzimidazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylic acid Traditional Name: 8-(1H-benzimidazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid Formula: C19H22N2O8S MolecularWeight: 438.45158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H22N2O8S/c22-15(23)6-5-10(16(24)25)7-11(17(26)27)8-12(18(28)29)9-30-19-20-13-3-1-2-4-14(13)21-19/h1-4,10-12H,5-9H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)