2,6-bis(diphenylphosphinothioyl)-N,N-diethyl-3,5-diphenyl-phosphinin-1-ium-1-amine

Systemtic Name: 2,6-bis(diphenylphosphinothioyl)-N,N-diethyl-3,5-diphenyl-phosphinin-1-ium-1-amine Openeye Name: 2,6-bis(diphenylphosphinothioyl)-N,N-diethyl-3,5-diphenyl-phosphinin-1-ium-1-amine CAS Name: 2,6-bis(diphenylphosphinothioyl)-N,N-diethyl-3,5-diphenyl-1-phosphorin-1-iumamine IUPAC Name: 2,6-bis(diphenylphosphinothioyl)-N,N-diethyl-3,5-diphenylphosphinin-1-ium-1-amine Traditional Name: [2,6-bis(diphenylthiophosphoryl)-3,5-diphenyl-phosphorin-1-ium-1-yl]-diethyl-amine Formula: C45H41NP3S2+ MolecularWeight: 752.865023

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)[P+]1=C(C(=CC(=C1P(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)P(=S)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCN(CC)[P+]1=C(C(=CC(=C1P(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)P(=S)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C45H41NP3S2/c1-3-46(4-2)47-44(48(50,38-27-15-7-16-28-38)39-29-17-8-18-30-39)42(36-23-11-5-12-24-36)35-43(37-25-13-6-14-26-37)45(47)49(51,40-31-19-9-20-32-40)41-33-21-10-22-34-41/h5-35H,3-4H2,1-2H3/q+1