2-(1H-benzimidazol-2-ylsulfanyl)hexanedioic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)hexanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)hexanedioic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)hexanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)hexanedioic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)adipic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(CCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-11(17)7-3-6-10(12(18)19)20-13-14-8-4-1-2-5-9(8)15-13/h1-2,4-5,10H,3,6-7H2,(H,14,15)(H,16,17)(H,18,19)