(4-methyl-2-oxidanylidene-hexyl) 4-ethoxybenzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-hexyl) 4-ethoxybenzenesulfonate Openeye Name: (4-methyl-2-oxo-hexyl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (4-methyl-2-oxohexyl) ester IUPAC Name: (4-methyl-2-oxohexyl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (2-keto-4-methyl-hexyl) ester Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-4-12(3)10-13(16)11-20-21(17,18)15-8-6-14(7-9-15)19-5-2/h6-9,12H,4-5,10-11H2,1-3H3