2-oxidanylideneheptyl 4-ethoxybenzenesulfonate

Systemtic Name: 2-oxidanylideneheptyl 4-ethoxybenzenesulfonate Openeye Name: 2-oxoheptyl 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid 2-oxoheptyl ester IUPAC Name: 2-oxoheptyl 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid 2-ketoheptyl ester Formula: C15H22O5S MolecularWeight: 314.39718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-3-5-6-7-13(16)12-20-21(17,18)15-10-8-14(9-11-15)19-4-2/h8-11H,3-7,12H2,1-2H3