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

Systemtic Name: [4-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate; triphenyl(propyl)phosphanium Openeye Name: [4-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate; triphenyl(propyl)phosphonium CAS Name: 4-methylbenzenesulfonic acid [4-(3-phenoxypropoxy)phenyl] ester; triphenyl(propyl)phosphonium IUPAC Name: [4-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate; triphenyl(propyl)phosphanium Traditional Name: 4-methylbenzenesulfonic acid [4-(3-phenoxypropoxy)phenyl] ester; triphenyl(propyl)phosphonium Formula: C43H44O5PS+ MolecularWeight: 703.845221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O5S.C21H22P/c1-18-8-14-22(15-9-18)28(23,24)27-21-12-10-20(11-13-21)26-17-5-16-25-19-6-3-2-4-7-19;1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-4,6-15H,5,16-17H2,1H3;3-17H,2,18H2,1H3/q;+1