(3-ethyl-2-oxidanylidene-hexyl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (3-ethyl-2-oxidanylidene-hexyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (3-ethyl-2-oxo-hexyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (3-ethyl-2-oxohexyl) ester IUPAC Name: (3-ethyl-2-oxohexyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (3-ethyl-2-keto-hexyl) ester Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O4S/c1-6-8-15(7-2)16(18)11-21-22(19,20)17-13(4)9-12(3)10-14(17)5/h9-10,15H,6-8,11H2,1-5H3