(4-methyl-2-oxidanylidene-pentyl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-pentyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (4-methyl-2-oxo-pentyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (4-methyl-2-oxopentyl) ester IUPAC Name: (4-methyl-2-oxopentyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-keto-4-methyl-pentyl) ester Formula: C15H22O4S MolecularWeight: 298.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(=O)CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(=O)CC(C)C)C

InChI

InChI=1S/C15H22O4S/c1-10(2)6-14(16)9-19-20(17,18)15-12(4)7-11(3)8-13(15)5/h7-8,10H,6,9H2,1-5H3