disodium 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate

Systemtic Name: disodium 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate Openeye Name: disodium 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate CAS Name: disodium 2-(1,3-benzoxazol-2-ylthio)butanedioate IUPAC Name: disodium 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate Traditional Name: disodium 2-(1,3-benzoxazol-2-ylthio)succinate Formula: C11H7NNa2O5S MolecularWeight: 311.22152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C11H9NO5S.2Na/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);;/q;2*+1/p-2