3-chloranyl-5-methyl-benzenesulfonic acid

Systemtic Name: 3-chloranyl-5-methyl-benzenesulfonic acid Openeye Name: 3-chloro-5-methyl-benzenesulfonic acid CAS Name: 3-chloro-5-methylbenzenesulfonic acid IUPAC Name: 3-chloro-5-methylbenzenesulfonic acid Traditional Name: 3-chloro-5-methyl-besylic acid Formula: C7H7ClO3S MolecularWeight: 206.64668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)Cl)S(=O)(=O)O

InChI

InChI=1S/C7H7ClO3S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H,9,10,11)