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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O4S/c1-6-7-12(2)10-16(18)11-21-22(19,20)17-14(4)8-13(3)9-15(17)5/h8-9,12H,6-7,10-11H2,1-5H3