3-oxidanylidenebutan-2-yl 4-butan-2-ylbenzenesulfonate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-butan-2-ylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-propyl) 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid (2-keto-1-methyl-propyl) ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C

InChI

InChI=1S/C14H20O4S/c1-5-10(2)13-6-8-14(9-7-13)19(16,17)18-12(4)11(3)15/h6-10,12H,5H2,1-4H3