(5-ethyl-2-oxidanylidene-heptyl) 4-ethoxybenzenesulfonate

Systemtic Name: (5-ethyl-2-oxidanylidene-heptyl) 4-ethoxybenzenesulfonate Openeye Name: (5-ethyl-2-oxo-heptyl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (5-ethyl-2-oxoheptyl) ester IUPAC Name: (5-ethyl-2-oxoheptyl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (5-ethyl-2-keto-heptyl) ester Formula: C17H26O5S MolecularWeight: 342.45034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O5S/c1-4-14(5-2)7-8-15(18)13-22-23(19,20)17-11-9-16(10-12-17)21-6-3/h9-12,14H,4-8,13H2,1-3H3