2-oxidanylidenebutyl 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2-oxidanylidenebutyl 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-oxobutyl 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid 2-oxobutyl ester IUPAC Name: 2-oxobutyl 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid 2-ketobutyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)COS(=O)(=O)C1=C(C=C(C=C1C)C)C

Isomeric SMILES

CCC(=O)COS(=O)(=O)C1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C13H18O4S/c1-5-12(14)8-17-18(15,16)13-10(3)6-9(2)7-11(13)4/h6-7H,5,8H2,1-4H3