sodium 3-ethyl-2-methyl-benzenesulfonate

Systemtic Name: sodium 3-ethyl-2-methyl-benzenesulfonate Openeye Name: sodium 3-ethyl-2-methyl-benzenesulfonate CAS Name: sodium 3-ethyl-2-methylbenzenesulfonate IUPAC Name: sodium 3-ethyl-2-methylbenzenesulfonate Traditional Name: sodium 3-ethyl-2-methyl-besylate Formula: C9H11NaO3S MolecularWeight: 222.23661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.Na/c1-3-8-5-4-6-9(7(8)2)13(10,11)12;/h4-6H,3H2,1-2H3,(H,10,11,12);/q;+1/p-1