azanium 2-(1,3-benzothiazol-2-ylsulfanyl)butanedioate

Systemtic Name: azanium 2-(1,3-benzothiazol-2-ylsulfanyl)butanedioate Openeye Name: ammonium 2-(1,3-benzothiazol-2-ylsulfanyl)butanedioate CAS Name: ammonium 2-(1,3-benzothiazol-2-ylthio)butanedioate IUPAC Name: azanium 2-(1,3-benzothiazol-2-ylsulfanyl)butanedioate Traditional Name: ammonium 2-(1,3-benzothiazol-2-ylthio)succinate Formula: C11H11N2O4S2- MolecularWeight: 299.34604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(CC(=O)[O-])C(=O)[O-].[NH4+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(CC(=O)[O-])C(=O)[O-].[NH4+]

InChI

InChI=1S/C11H9NO4S2.H3N/c13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11;/h1-4,8H,5H2,(H,13,14)(H,15,16);1H3/p-1