azanium diphenyl 14-tridecylheptacosan-14-yl phosphate

Systemtic Name: azanium diphenyl 14-tridecylheptacosan-14-yl phosphate Openeye Name: ammonium 1,1-di(tridecyl)tetradecyl diphenyl phosphate CAS Name: ammonium phosphoric acid diphenyl 14-tridecylheptacosan-14-yl ester IUPAC Name: azanium diphenyl 14-tridecylheptacosan-14-yl phosphate Traditional Name: ammonium phosphoric acid 1,1-di(tridecyl)tetradecyl diphenyl ester Formula: C52H95NO4P+ MolecularWeight: 829.288761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(CCCCCCCCCCCCC)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(CCCCCCCCCCCCC)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2.[NH4+]

InChI

InChI=1S/C52H91O4P.H3N/c1-4-7-10-13-16-19-22-25-28-31-40-47-52(48-41-32-29-26-23-20-17-14-11-8-5-2,49-42-33-30-27-24-21-18-15-12-9-6-3)56-57(53,54-50-43-36-34-37-44-50)55-51-45-38-35-39-46-51;/h34-39,43-46H,4-33,40-42,47-49H2,1-3H3;1H3/p+1