2-oxidanylidenepentyl 2,4-dimethylbenzenesulfonate

Systemtic Name: 2-oxidanylidenepentyl 2,4-dimethylbenzenesulfonate Openeye Name: 2-oxopentyl 2,4-dimethylbenzenesulfonate CAS Name: 2,4-dimethylbenzenesulfonic acid 2-oxopentyl ester IUPAC Name: 2-oxopentyl 2,4-dimethylbenzenesulfonate Traditional Name: 2,4-dimethylbenzenesulfonic acid 2-ketopentyl ester Formula: C13H18O4S MolecularWeight: 270.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)COS(=O)(=O)C1=C(C=C(C=C1)C)C

Isomeric SMILES

CCCC(=O)COS(=O)(=O)C1=C(C=C(C=C1)C)C

InChI

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