2-ethyl-4-methyl-benzenesulfonate

Systemtic Name: 2-ethyl-4-methyl-benzenesulfonate Openeye Name: 2-ethyl-4-methyl-benzenesulfonate CAS Name: 2-ethyl-4-methylbenzenesulfonate IUPAC Name: 2-ethyl-4-methylbenzenesulfonate Traditional Name: 2-ethyl-4-methyl-besylate Formula: C9H11O3S- MolecularWeight: 199.24684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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