2-ethyl-5-methyl-benzenesulfonic acid

Systemtic Name: 2-ethyl-5-methyl-benzenesulfonic acid Openeye Name: 2-ethyl-5-methyl-benzenesulfonic acid CAS Name: 2-ethyl-5-methylbenzenesulfonic acid IUPAC Name: 2-ethyl-5-methylbenzenesulfonic acid Traditional Name: 2-ethyl-5-methyl-besylic acid Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C=C(C=C1)C)S(=O)(=O)O

InChI

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