sodium 2-methylsulfanyl-1,3-benzothiazole-6-sulfonate

Systemtic Name: sodium 2-methylsulfanyl-1,3-benzothiazole-6-sulfonate Openeye Name: sodium 2-methylsulfanyl-1,3-benzothiazole-6-sulfonate CAS Name: sodium 2-(methylthio)-1,3-benzothiazole-6-sulfonate IUPAC Name: sodium 2-methylsulfanyl-1,3-benzothiazole-6-sulfonate Traditional Name: sodium 2-(methylthio)-1,3-benzothiazole-6-sulfonate Formula: C8H6NNaO3S3 MolecularWeight: 283.32291

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H7NO3S3.Na/c1-13-8-9-6-3-2-5(15(10,11)12)4-7(6)14-8;/h2-4H,1H3,(H,10,11,12);/q;+1/p-1