(4-chlorophenyl) 5-tert-butyl-2,3-dimethyl-benzenesulfonate

Systemtic Name: (4-chlorophenyl) 5-tert-butyl-2,3-dimethyl-benzenesulfonate Openeye Name: (4-chlorophenyl) 5-tert-butyl-2,3-dimethyl-benzenesulfonate CAS Name: 5-tert-butyl-2,3-dimethylbenzenesulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 5-tert-butyl-2,3-dimethylbenzenesulfonate Traditional Name: 5-tert-butyl-2,3-dimethyl-benzenesulfonic acid (4-chlorophenyl) ester Formula: C18H21ClO3S MolecularWeight: 352.87554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClO3S/c1-12-10-14(18(3,4)5)11-17(13(12)2)23(20,21)22-16-8-6-15(19)7-9-16/h6-11H,1-5H3