ethyl(triphenyl)phosphanium; [3-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate

Systemtic Name: ethyl(triphenyl)phosphanium; [3-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Openeye Name: ethyl(triphenyl)phosphonium; [3-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate CAS Name: ethyl(triphenyl)phosphonium; 4-methylbenzenesulfonic acid [3-(3-phenoxypropoxy)phenyl] ester IUPAC Name: ethyl(triphenyl)phosphanium; [3-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Traditional Name: ethyl(triphenyl)phosphonium; 4-methylbenzenesulfonic acid [3-(3-phenoxypropoxy)phenyl] ester Formula: C42H42O5PS+ MolecularWeight: 689.818641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OCCCOC3=CC=CC=C3

Isomeric SMILES

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OCCCOC3=CC=CC=C3

InChI

InChI=1S/C22H22O5S.C20H20P/c1-18-11-13-22(14-12-18)28(23,24)27-21-10-5-9-20(17-21)26-16-6-15-25-19-7-3-2-4-8-19;1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-5,7-14,17H,6,15-16H2,1H3;3-17H,2H2,1H3/q;+1