disodium 2-(1H-benzimidazol-2-ylsulfanyl)butanedioate

Systemtic Name: disodium 2-(1H-benzimidazol-2-ylsulfanyl)butanedioate Openeye Name: disodium 2-(1H-benzimidazol-2-ylsulfanyl)butanedioate CAS Name: disodium 2-(1H-benzimidazol-2-ylthio)butanedioate IUPAC Name: disodium 2-(1H-benzimidazol-2-ylsulfanyl)butanedioate Traditional Name: disodium 2-(1H-benzimidazol-2-ylthio)succinate Formula: C11H8N2Na2O4S MolecularWeight: 310.23676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C11H10N2O4S.2Na/c14-9(15)5-8(10(16)17)18-11-12-6-3-1-2-4-7(6)13-11;;/h1-4,8H,5H2,(H,12,13)(H,14,15)(H,16,17);;/q;2*+1/p-2