5-chloranyl-2,4-dimethyl-benzenesulfonic acid

Systemtic Name: 5-chloranyl-2,4-dimethyl-benzenesulfonic acid Openeye Name: 5-chloro-2,4-dimethyl-benzenesulfonic acid CAS Name: 5-chloro-2,4-dimethylbenzenesulfonic acid IUPAC Name: 5-chloro-2,4-dimethylbenzenesulfonic acid Traditional Name: 5-chloro-2,4-dimethyl-besylic acid Formula: C8H9ClO3S MolecularWeight: 220.67326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)Cl)C

InChI

InChI=1S/C8H9ClO3S/c1-5-3-6(2)8(4-7(5)9)13(10,11)12/h3-4H,1-2H3,(H,10,11,12)