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

Systemtic Name: (5-methyl-2-oxidanylidene-hexyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (5-methyl-2-oxo-hexyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (5-methyl-2-oxohexyl) ester IUPAC Name: (5-methyl-2-oxohexyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-keto-5-methyl-hexyl) ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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