(4-chloranyl-3,5-dimethyl-phenyl) 3,4-dimethylbenzenesulfonate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 3,4-dimethylbenzenesulfonate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C16H17ClO3S MolecularWeight: 324.82238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C(=C2)C)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C(=C2)C)Cl)C)C

InChI

InChI=1S/C16H17ClO3S/c1-10-5-6-15(9-11(10)2)21(18,19)20-14-7-12(3)16(17)13(4)8-14/h5-9H,1-4H3