sodium 2-ethyl-6-methylsulfanyl-benzenesulfonate

Systemtic Name: sodium 2-ethyl-6-methylsulfanyl-benzenesulfonate Openeye Name: sodium 2-ethyl-6-methylsulfanyl-benzenesulfonate CAS Name: sodium 2-ethyl-6-(methylthio)benzenesulfonate IUPAC Name: sodium 2-ethyl-6-methylsulfanylbenzenesulfonate Traditional Name: sodium 2-ethyl-6-(methylthio)besylate Formula: C9H11NaO3S2 MolecularWeight: 254.30161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)SC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=C(C(=CC=C1)SC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H12O3S2.Na/c1-3-7-5-4-6-8(13-2)9(7)14(10,11)12;/h4-6H,3H2,1-2H3,(H,10,11,12);/q;+1/p-1