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

Systemtic Name: 4-methylbenzenesulfonate; 3-[4-(4-phenoxybutoxy)phenyl]propyl-triphenyl-phosphanium Openeye Name: 4-methylbenzenesulfonate; 3-[4-(4-phenoxybutoxy)phenyl]propyl-triphenyl-phosphonium CAS Name: 4-methylbenzenesulfonate; 3-[4-(4-phenoxybutoxy)phenyl]propyl-triphenylphosphonium IUPAC Name: 4-methylbenzenesulfonate; 3-[4-(4-phenoxybutoxy)phenyl]propyl-triphenylphosphanium Traditional Name: 3-[4-(4-phenoxybutoxy)phenyl]propyl-triphenyl-phosphonium tosylate Formula: C44H45O5PS MolecularWeight: 716.863861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C37H38O2P.C7H8O3S/c1-5-17-33(18-6-1)38-29-13-14-30-39-34-27-25-32(26-28-34)16-15-31-40(35-19-7-2-8-20-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37;1-6-2-4-7(5-3-6)11(8,9)10/h1-12,17-28H,13-16,29-31H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1