(3-ethyl-2-oxidanylidene-pentyl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (3-ethyl-2-oxidanylidene-pentyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (3-ethyl-2-oxo-pentyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (3-ethyl-2-oxopentyl) ester IUPAC Name: (3-ethyl-2-oxopentyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (3-ethyl-2-keto-pentyl) ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-6-14(7-2)15(17)10-20-21(18,19)16-12(4)8-11(3)9-13(16)5/h8-9,14H,6-7,10H2,1-5H3