(1-phenylmethoxy-4-phenylsulfanyl-hex-5-en-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-phenylmethoxy-4-phenylsulfanyl-hex-5-en-2-yl) 4-methylbenzenesulfonate Openeye Name: [1-(benzyloxymethyl)-3-phenylsulfanyl-pent-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-phenylmethoxy-4-(phenylthio)hex-5-en-2-yl] ester IUPAC Name: (1-phenylmethoxy-4-phenylsulfanylhex-5-en-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(benzoxymethyl)-3-(phenylthio)pent-4-enyl] ester Formula: C26H28O4S2 MolecularWeight: 468.62812

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)COCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CC(C=C)SC2=CC=CC=C2)COCC3=CC=CC=C3

InChI

InChI=1S/C26H28O4S2/c1-3-24(31-25-12-8-5-9-13-25)18-23(20-29-19-22-10-6-4-7-11-22)30-32(27,28)26-16-14-21(2)15-17-26/h3-17,23-24H,1,18-20H2,2H3