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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)O

InChI

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