2-ethyl-6-ethylsulfanyl-benzenesulfonate

Systemtic Name: 2-ethyl-6-ethylsulfanyl-benzenesulfonate Openeye Name: 2-ethyl-6-ethylsulfanyl-benzenesulfonate CAS Name: 2-ethyl-6-(ethylthio)benzenesulfonate IUPAC Name: 2-ethyl-6-ethylsulfanylbenzenesulfonate Traditional Name: 2-ethyl-6-(ethylthio)besylate Formula: C10H13O3S2- MolecularWeight: 245.33842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)SCC)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)SCC)S(=O)(=O)[O-]

InChI

InChI=1S/C10H14O3S2/c1-3-8-6-5-7-9(14-4-2)10(8)15(11,12)13/h5-7H,3-4H2,1-2H3,(H,11,12,13)/p-1