[(Z)-8-pyridin-3-yloct-5-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-8-pyridin-3-yloct-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-8-(3-pyridyl)oct-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-8-(3-pyridinyl)oct-5-enyl] ester IUPAC Name: [(Z)-8-pyridin-3-yloct-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-8-(3-pyridyl)oct-5-enyl] ester Formula: C20H25NO3S MolecularWeight: 359.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC=CCCC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC/C=C\CCC2=CN=CC=C2

InChI

InChI=1S/C20H25NO3S/c1-18-11-13-20(14-12-18)25(22,23)24-16-7-5-3-2-4-6-9-19-10-8-15-21-17-19/h2,4,8,10-15,17H,3,5-7,9,16H2,1H3/b4-2-