1-[(2-methylphenyl)amino]ethyl-triphenyl-phosphanium phosphate

Systemtic Name: 1-[(2-methylphenyl)amino]ethyl-triphenyl-phosphanium phosphate Openeye Name: 1-(2-methylanilino)ethyl-triphenyl-phosphonium phosphate CAS Name: 1-(2-methylanilino)ethyl-triphenylphosphonium phosphate IUPAC Name: 1-(2-methylanilino)ethyl-triphenylphosphanium phosphate Traditional Name: 1-(o-toluidino)ethyl-triphenyl-phosphonium phosphate Formula: C27H27NO4P2-2 MolecularWeight: 491.455102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C27H27NP.H3O4P/c1-22-14-12-13-21-27(22)28-23(2)29(24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26;1-5(2,3)4/h3-21,23,28H,1-2H3;(H3,1,2,3,4)/q+1;/p-3