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

Systemtic Name: (6-methyl-2-oxidanylidene-heptyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (6-methyl-2-oxo-heptyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (6-methyl-2-oxoheptyl) ester IUPAC Name: (6-methyl-2-oxoheptyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-keto-6-methyl-heptyl) ester Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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