(4,4-dimethyl-2-oxidanylidene-pentyl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (4,4-dimethyl-2-oxidanylidene-pentyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (4,4-dimethyl-2-oxo-pentyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (4,4-dimethyl-2-oxopentyl) ester IUPAC Name: (4,4-dimethyl-2-oxopentyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-keto-4,4-dimethyl-pentyl) ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-11-7-12(2)15(13(3)8-11)21(18,19)20-10-14(17)9-16(4,5)6/h7-8H,9-10H2,1-6H3