azanium dibutyl (13-dodecyl-14-ethyl-hexacosan-13-yl) phosphate

Systemtic Name: azanium dibutyl (13-dodecyl-14-ethyl-hexacosan-13-yl) phosphate Openeye Name: ammonium dibutyl (1,1-didodecyl-2-ethyl-tetradecyl) phosphate CAS Name: ammonium phosphoric acid dibutyl (13-dodecyl-14-ethylhexacosan-13-yl) ester IUPAC Name: azanium dibutyl (13-dodecyl-14-ethylhexacosan-13-yl) phosphate Traditional Name: ammonium phosphoric acid dibutyl (2-ethyl-1,1-dilauryl-tetradecyl) ester Formula: C48H103NO4P+ MolecularWeight: 789.309481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)OP(=O)(OCCCC)OCCCC.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCC(CC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)OP(=O)(OCCCC)OCCCC.[NH4+]

InChI

InChI=1S/C48H99O4P.H3N/c1-7-13-18-21-24-27-30-33-36-39-42-47(12-6)48(43-40-37-34-31-28-25-22-19-14-8-2,44-41-38-35-32-29-26-23-20-15-9-3)52-53(49,50-45-16-10-4)51-46-17-11-5;/h47H,7-46H2,1-6H3;1H3/p+1