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

Systemtic Name: (2-oxidanylidene-3-propyl-hexyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (2-oxo-3-propyl-hexyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (2-oxo-3-propylhexyl) ester IUPAC Name: (2-oxo-3-propylhexyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-keto-3-propyl-hexyl) ester Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O4S/c1-6-8-16(9-7-2)17(19)12-22-23(20,21)18-14(4)10-13(3)11-15(18)5/h10-11,16H,6-9,12H2,1-5H3