ethyl(triphenyl)phosphanium; [2-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate

Systemtic Name: ethyl(triphenyl)phosphanium; [2-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Openeye Name: ethyl(triphenyl)phosphonium; [2-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate CAS Name: ethyl(triphenyl)phosphonium; 4-methylbenzenesulfonic acid [2-(3-phenoxypropoxy)phenyl] ester IUPAC Name: ethyl(triphenyl)phosphanium; [2-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Traditional Name: ethyl(triphenyl)phosphonium; 4-methylbenzenesulfonic acid [2-(3-phenoxypropoxy)phenyl] ester Formula: C42H42O5PS+ MolecularWeight: 689.818641

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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=C2OCCCOC3=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=C2OCCCOC3=CC=CC=C3

InChI

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