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tributyl(hexadecyl)phosphanium phosphate

tributyl(hexadecyl)phosphanium phosphate

Systemtic Name:tributyl(hexadecyl)phosphanium phosphate
Openeye Name:tributyl(hexadecyl)phosphonium phosphate
CAS Name:tributyl(hexadecyl)phosphonium phosphate
IUPAC Name:tributyl(hexadecyl)phosphanium phosphate
Traditional Name:tributyl(cetyl)phosphonium phosphate
Formula: C84H180O4P4
MolecularWeight: 1378.220644
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[O-]P(=O)([O-])[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[O-]P(=O)([O-])[O-]


InChI

InChI=1S/3C28H60P.H3O4P/c3*1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;1-5(2,3)4/h3*5-28H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3


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