5-iodanylhexan-2-yl benzenesulfonate

Systemtic Name: 5-iodanylhexan-2-yl benzenesulfonate Openeye Name: (4-iodo-1-methyl-pentyl) benzenesulfonate CAS Name: benzenesulfonic acid 5-iodohexan-2-yl ester IUPAC Name: 5-iodohexan-2-yl benzenesulfonate Traditional Name: benzenesulfonic acid (4-iodo-1-methyl-pentyl) ester Formula: C12H17IO3S MolecularWeight: 368.23105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)I)OS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CCC(C)I)OS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H17IO3S/c1-10(13)8-9-11(2)16-17(14,15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3