[(E)-7-diphenylphosphoryl-3-oxidanyl-hept-6-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-7-diphenylphosphoryl-3-oxidanyl-hept-6-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-7-diphenylphosphoryl-3-hydroxy-hept-6-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-7-diphenylphosphoryl-3-hydroxyhept-6-enyl] ester IUPAC Name: [(E)-7-diphenylphosphoryl-3-hydroxyhept-6-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-7-diphenylphosphoryl-3-hydroxy-hept-6-enyl] ester Formula: C26H29O5PS MolecularWeight: 484.544221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCC=CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CC/C=C/P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C26H29O5PS/c1-22-15-17-26(18-16-22)33(29,30)31-20-19-23(27)10-8-9-21-32(28,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-7,9,11-18,21,23,27H,8,10,19-20H2,1H3/b21-9+