(3-methyl-2-oxidanylidene-pentyl) 2,3,4,6-tetramethylbenzenesulfonate

Systemtic Name: (3-methyl-2-oxidanylidene-pentyl) 2,3,4,6-tetramethylbenzenesulfonate Openeye Name: (3-methyl-2-oxo-pentyl) 2,3,4,6-tetramethylbenzenesulfonate CAS Name: 2,3,4,6-tetramethylbenzenesulfonic acid (3-methyl-2-oxopentyl) ester IUPAC Name: (3-methyl-2-oxopentyl) 2,3,4,6-tetramethylbenzenesulfonate Traditional Name: 2,3,4,6-tetramethylbenzenesulfonic acid (2-keto-3-methyl-pentyl) ester Formula: C16H24O4S MolecularWeight: 312.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-7-10(2)15(17)9-20-21(18,19)16-12(4)8-11(3)13(5)14(16)6/h8,10H,7,9H2,1-6H3