(4-tert-butylphenyl) 3-ethanoylbenzenesulfonate

Systemtic Name: (4-tert-butylphenyl) 3-ethanoylbenzenesulfonate Openeye Name: (4-tert-butylphenyl) 3-acetylbenzenesulfonate CAS Name: 3-acetylbenzenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-acetylbenzenesulfonate Traditional Name: 3-acetylbenzenesulfonic acid (4-tert-butylphenyl) ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-13(19)14-6-5-7-17(12-14)23(20,21)22-16-10-8-15(9-11-16)18(2,3)4/h5-12H,1-4H3