[1-(oxan-2-yloxy)-4-phenylsulfanyl-hex-5-en-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(oxan-2-yloxy)-4-phenylsulfanyl-hex-5-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [3-phenylsulfanyl-1-(tetrahydropyran-2-yloxymethyl)pent-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(2-oxanyloxy)-4-(phenylthio)hex-5-en-2-yl] ester IUPAC Name: [1-(oxan-2-yloxy)-4-phenylsulfanylhex-5-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(phenylthio)-1-(tetrahydropyran-2-yloxymethyl)pent-4-enyl] ester Formula: C24H30O5S2 MolecularWeight: 462.622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC(C=C)SC2=CC=CC=C2)COC3CCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CC(C=C)SC2=CC=CC=C2)COC3CCCCO3

InChI

InChI=1S/C24H30O5S2/c1-3-21(30-22-9-5-4-6-10-22)17-20(18-28-24-11-7-8-16-27-24)29-31(25,26)23-14-12-19(2)13-15-23/h3-6,9-10,12-15,20-21,24H,1,7-8,11,16-18H2,2H3