[2-ethyl-2-(phenylsulfonyloxymethyl)hexyl] benzenesulfonate

Systemtic Name: [2-ethyl-2-(phenylsulfonyloxymethyl)hexyl] benzenesulfonate Openeye Name: [2-(benzenesulfonyloxymethyl)-2-ethyl-hexyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(benzenesulfonyloxymethyl)-2-ethylhexyl] ester IUPAC Name: [2-(benzenesulfonyloxymethyl)-2-ethylhexyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(besyloxymethyl)-2-ethyl-hexyl] ester Formula: C21H28O6S2 MolecularWeight: 440.57342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(COS(=O)(=O)C1=CC=CC=C1)COS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)(COS(=O)(=O)C1=CC=CC=C1)COS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28O6S2/c1-3-5-16-21(4-2,17-26-28(22,23)19-12-8-6-9-13-19)18-27-29(24,25)20-14-10-7-11-15-20/h6-15H,3-5,16-18H2,1-2H3