2-chloranyl-5-methyl-benzenesulfonate

Systemtic Name: 2-chloranyl-5-methyl-benzenesulfonate Openeye Name: 2-chloro-5-methyl-benzenesulfonate CAS Name: 2-chloro-5-methylbenzenesulfonate IUPAC Name: 2-chloro-5-methylbenzenesulfonate Traditional Name: 2-chloro-5-methyl-besylate Formula: C7H6ClO3S- MolecularWeight: 205.63874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)S(=O)(=O)[O-]

InChI

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