[5-diethylazaniumylidene-3-diphenylphosphanyl-1,5-bis(4-methylphenyl)pentylidene]-diethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [5-diethylazaniumylidene-3-diphenylphosphanyl-1,5-bis(4-methylphenyl)pentylidene]-diethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [5-diethyliminio-3-diphenylphosphanyl-1,5-bis(p-tolyl)pentylidene]-diethyl-ammonium; trifluoromethanesulfonate CAS Name: [5-diethyliminio-3-diphenylphosphino-1,5-bis(4-methylphenyl)pentylidene]-diethylammonium; trifluoromethanesulfonate IUPAC Name: [5-diethylazaniumylidene-3-diphenylphosphanyl-1,5-bis(4-methylphenyl)pentylidene]-diethylazanium; trifluoromethanesulfonate Traditional Name: [5-diethyliminio-3-diphenylphosphino-1,5-bis(p-tolyl)pentylidene]-diethyl-ammonium ditriflate Formula: C41H49F6N2O6PS2 MolecularWeight: 874.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C(CC(CC(=[N+](CC)CC)C1=CC=C(C=C1)C)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)CC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](=C(CC(CC(=[N+](CC)CC)C1=CC=C(C=C1)C)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)CC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C39H49N2P.2CHF3O3S/c1-7-40(8-2)38(33-25-21-31(5)22-26-33)29-37(30-39(41(9-3)10-4)34-27-23-32(6)24-28-34)42(35-17-13-11-14-18-35)36-19-15-12-16-20-36;2*2-1(3,4)8(5,6)7/h11-28,37H,7-10,29-30H2,1-6H3;2*(H,5,6,7)/q+2;;/p-2