(3-methyl-2-oxidanylidene-octyl) 2,4,6-trimethylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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