sodium 1,3-benzoxazol-2-ylsulfanylmethanesulfonate

Systemtic Name: sodium 1,3-benzoxazol-2-ylsulfanylmethanesulfonate Openeye Name: sodium 1,3-benzoxazol-2-ylsulfanylmethanesulfonate CAS Name: sodium (1,3-benzoxazol-2-ylthio)methanesulfonate IUPAC Name: sodium 1,3-benzoxazol-2-ylsulfanylmethanesulfonate Traditional Name: sodium (1,3-benzoxazol-2-ylthio)methanesulfonate Formula: C8H6NNaO4S2 MolecularWeight: 267.25731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4S2.Na/c10-15(11,12)5-14-8-9-6-3-1-2-4-7(6)13-8;/h1-4H,5H2,(H,10,11,12);/q;+1/p-1