(2,3-dimethylphenyl) 4-tert-butylbenzenesulfonate

Systemtic Name: (2,3-dimethylphenyl) 4-tert-butylbenzenesulfonate Openeye Name: (2,3-dimethylphenyl) 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid (2,3-dimethylphenyl) ester IUPAC Name: (2,3-dimethylphenyl) 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (2,3-dimethylphenyl) ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C18H22O3S/c1-13-7-6-8-17(14(13)2)21-22(19,20)16-11-9-15(10-12-16)18(3,4)5/h6-12H,1-5H3