(2,5-dimethylphenyl) 4-tert-butylbenzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) 4-tert-butylbenzenesulfonate Openeye Name: (2,5-dimethylphenyl) 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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