(5-methyl-2-oxidanylidene-hexyl) 4-methoxybenzenesulfonate

Systemtic Name: (5-methyl-2-oxidanylidene-hexyl) 4-methoxybenzenesulfonate Openeye Name: (5-methyl-2-oxo-hexyl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (5-methyl-2-oxohexyl) ester IUPAC Name: (5-methyl-2-oxohexyl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (2-keto-5-methyl-hexyl) ester Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S/c1-11(2)4-5-12(15)10-19-20(16,17)14-8-6-13(18-3)7-9-14/h6-9,11H,4-5,10H2,1-3H3