(3-methyl-5-propan-2-yl-phenyl) 4-ethanoylbenzenesulfonate

Systemtic Name: (3-methyl-5-propan-2-yl-phenyl) 4-ethanoylbenzenesulfonate Openeye Name: (3-isopropyl-5-methyl-phenyl) 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic acid (3-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-5-propan-2-ylphenyl) 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid (3-isopropyl-5-methyl-phenyl) ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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