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

Systemtic Name: 4-methylbenzenesulfonate; 3-[4-(3-phenoxypropoxy)phenyl]propyl-triphenyl-phosphanium Openeye Name: 4-methylbenzenesulfonate; 3-[4-(3-phenoxypropoxy)phenyl]propyl-triphenyl-phosphonium CAS Name: 4-methylbenzenesulfonate; 3-[4-(3-phenoxypropoxy)phenyl]propyl-triphenylphosphonium IUPAC Name: 4-methylbenzenesulfonate; 3-[4-(3-phenoxypropoxy)phenyl]propyl-triphenylphosphanium Traditional Name: 3-[4-(3-phenoxypropoxy)phenyl]propyl-triphenyl-phosphonium tosylate Formula: C43H43O5PS MolecularWeight: 702.837281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)OCCCOC2=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)OCCCOC2=CC=C(C=C2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H36O2P.C7H8O3S/c1-5-16-32(17-6-1)37-28-14-29-38-33-26-24-31(25-27-33)15-13-30-39(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36;1-6-2-4-7(5-3-6)11(8,9)10/h1-12,16-27H,13-15,28-30H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1