(2-methylphenyl) 4-chloranyl-2-methyl-benzenesulfonate

Systemtic Name: (2-methylphenyl) 4-chloranyl-2-methyl-benzenesulfonate Openeye Name: o-tolyl 4-chloro-2-methyl-benzenesulfonate CAS Name: 4-chloro-2-methylbenzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-chloro-2-methylbenzenesulfonate Traditional Name: 4-chloro-2-methyl-benzenesulfonic acid o-tolyl ester Formula: C14H13ClO3S MolecularWeight: 296.76922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C14H13ClO3S/c1-10-5-3-4-6-13(10)18-19(16,17)14-8-7-12(15)9-11(14)2/h3-9H,1-2H3