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

Systemtic Name: (5-methyl-2-oxidanylidene-hexyl) 4-ethoxybenzenesulfonate Openeye Name: (5-methyl-2-oxo-hexyl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (5-methyl-2-oxohexyl) ester IUPAC Name: (5-methyl-2-oxohexyl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (2-keto-5-methyl-hexyl) ester Formula: C15H22O5S MolecularWeight: 314.39718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CCC(C)C

InChI

InChI=1S/C15H22O5S/c1-4-19-14-7-9-15(10-8-14)21(17,18)20-11-13(16)6-5-12(2)3/h7-10,12H,4-6,11H2,1-3H3