azanium 13-dodecylpentacosan-13-yl diphenyl phosphate

Systemtic Name: azanium 13-dodecylpentacosan-13-yl diphenyl phosphate Openeye Name: ammonium 1,1-didodecyltridecyl diphenyl phosphate CAS Name: ammonium phosphoric acid 13-dodecylpentacosan-13-yl diphenyl ester IUPAC Name: azanium 13-dodecylpentacosan-13-yl diphenyl phosphate Traditional Name: ammonium phosphoric acid 1,1-dilauryltridecyl diphenyl ester Formula: C49H89NO4P+ MolecularWeight: 787.209021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H85O4P.H3N/c1-4-7-10-13-16-19-22-25-28-37-44-49(45-38-29-26-23-20-17-14-11-8-5-2,46-39-30-27-24-21-18-15-12-9-6-3)53-54(50,51-47-40-33-31-34-41-47)52-48-42-35-32-36-43-48;/h31-36,40-43H,4-30,37-39,44-46H2,1-3H3;1H3/p+1