(2-ethanoyl-2-methyl-3-oxidanylidene-butyl) 4-butan-2-ylbenzenesulfonate

Systemtic Name: (2-ethanoyl-2-methyl-3-oxidanylidene-butyl) 4-butan-2-ylbenzenesulfonate Openeye Name: (2-acetyl-2-methyl-3-oxo-butyl) 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid (2-acetyl-2-methyl-3-oxobutyl) ester IUPAC Name: (2-acetyl-2-methyl-3-oxobutyl) 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid (2-acetyl-3-keto-2-methyl-butyl) ester Formula: C17H24O5S MolecularWeight: 340.43446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O5S/c1-6-12(2)15-7-9-16(10-8-15)23(20,21)22-11-17(5,13(3)18)14(4)19/h7-10,12H,6,11H2,1-5H3