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

Systemtic Name: (4-methyl-2-oxidanylidene-hexyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (4-methyl-2-oxo-hexyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (4-methyl-2-oxohexyl) ester IUPAC Name: (4-methyl-2-oxohexyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-keto-4-methyl-hexyl) ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-6-11(2)9-15(17)10-20-21(18,19)16-13(4)7-12(3)8-14(16)5/h7-8,11H,6,9-10H2,1-5H3