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

Systemtic Name: [4-(4-phenoxybutoxy)phenyl] 4-methylbenzenesulfonate; triphenyl(propyl)phosphanium Openeye Name: [4-(4-phenoxybutoxy)phenyl] 4-methylbenzenesulfonate; triphenyl(propyl)phosphonium CAS Name: 4-methylbenzenesulfonic acid [4-(4-phenoxybutoxy)phenyl] ester; triphenyl(propyl)phosphonium IUPAC Name: [4-(4-phenoxybutoxy)phenyl] 4-methylbenzenesulfonate; triphenyl(propyl)phosphanium Traditional Name: 4-methylbenzenesulfonic acid [4-(4-phenoxybutoxy)phenyl] ester; triphenyl(propyl)phosphonium Formula: C44H46O5PS+ MolecularWeight: 717.871801

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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)OCCCCOC3=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)OCCCCOC3=CC=CC=C3

InChI

InChI=1S/C23H24O5S.C21H22P/c1-19-9-15-23(16-10-19)29(24,25)28-22-13-11-21(12-14-22)27-18-6-5-17-26-20-7-3-2-4-8-20;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/h2-4,7-16H,5-6,17-18H2,1H3;3-17H,2,18H2,1H3/q;+1