diphenyl-[3-[2-phenyl-1-(4-phenylbutoxy)ethyl]phenyl]phosphanium; 4-methylbenzenesulfonate

Systemtic Name: diphenyl-[3-[2-phenyl-1-(4-phenylbutoxy)ethyl]phenyl]phosphanium; 4-methylbenzenesulfonate Openeye Name: diphenyl-[3-[2-phenyl-1-(4-phenylbutoxy)ethyl]phenyl]phosphonium; 4-methylbenzenesulfonate CAS Name: diphenyl-[3-[2-phenyl-1-(4-phenylbutoxy)ethyl]phenyl]phosphonium; 4-methylbenzenesulfonate IUPAC Name: diphenyl-[3-[2-phenyl-1-(4-phenylbutoxy)ethyl]phenyl]phosphanium; 4-methylbenzenesulfonate Traditional Name: diphenyl-[3-[2-phenyl-1-(4-phenylbutoxy)ethyl]phenyl]phosphonium tosylate Formula: C43H43O4PS MolecularWeight: 686.837881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CCCCOC(CC2=CC=CC=C2)C3=CC(=CC=C3)[PH+](C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CCCCOC(CC2=CC=CC=C2)C3=CC(=CC=C3)[PH+](C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H35OP.C7H8O3S/c1-5-16-30(17-6-1)18-13-14-27-37-36(28-31-19-7-2-8-20-31)32-21-15-26-35(29-32)38(33-22-9-3-10-23-33)34-24-11-4-12-25-34;1-6-2-4-7(5-3-6)11(8,9)10/h1-12,15-17,19-26,29,36H,13-14,18,27-28H2;2-5H,1H3,(H,8,9,10)