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2-(phenethylamino)ethyl-triphenyl-phosphanium phosphate

2-(phenethylamino)ethyl-triphenyl-phosphanium phosphate

Systemtic Name:2-(phenethylamino)ethyl-triphenyl-phosphanium phosphate
Openeye Name:2-(phenethylamino)ethyl-triphenyl-phosphonium phosphate
CAS Name:2-(phenethylamino)ethyl-triphenylphosphonium phosphate
IUPAC Name:2-(phenethylamino)ethyl-triphenylphosphanium phosphate
Traditional Name:2-(phenethylamino)ethyl-triphenyl-phosphonium phosphate
Formula: C28H29NO4P2-2
MolecularWeight: 505.481682
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H29NP.H3O4P/c1-5-13-25(14-6-1)21-22-29-23-24-30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-5(2,3)4/h1-20,29H,21-24H2;(H3,1,2,3,4)/q+1;/p-3


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