[(E)-8-iodanyloct-7-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-8-iodanyloct-7-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-8-iodooct-7-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-8-iodooct-7-enyl] ester IUPAC Name: [(E)-8-iodooct-7-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-8-iodooct-7-enyl] ester Formula: C15H21IO3S MolecularWeight: 408.29491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC=CI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC/C=C/I

InChI

InChI=1S/C15H21IO3S/c1-14-8-10-15(11-9-14)20(17,18)19-13-7-5-3-2-4-6-12-16/h6,8-12H,2-5,7,13H2,1H3/b12-6+