(3,5-dimethylphenyl) 4-tert-butylbenzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 4-tert-butylbenzenesulfonate Openeye Name: (3,5-dimethylphenyl) 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (3,5-dimethylphenyl) ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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