2-oxidanylidenebutyl 4-methylbenzenesulfonate

Systemtic Name: 2-oxidanylidenebutyl 4-methylbenzenesulfonate Openeye Name: 2-oxobutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-oxobutyl ester IUPAC Name: 2-oxobutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-ketobutyl ester Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-3-10(12)8-15-16(13,14)11-6-4-9(2)5-7-11/h4-7H,3,8H2,1-2H3