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[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[12-[(5Z)-5-[[1-bis(fluoranyl)boranyl-3,5-diphenyl-pyrrol-2-yl]methylidene]pyrrol-2-yl]dodecanoyloxy]propyl] hexadecanoate

[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[12-[(5Z)-5-[[1-bis(fluoranyl)boranyl-3,5-diphenyl-pyrrol-2-yl]methylidene]pyrrol-2-yl]dodecanoyloxy]propyl] hexadecanoate

Systemtic Name:[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[12-[(5Z)-5-[[1-bis(fluoranyl)boranyl-3,5-diphenyl-pyrrol-2-yl]methylidene]pyrrol-2-yl]dodecanoyloxy]propyl] hexadecanoate
Openeye Name:[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[12-[(5Z)-5-[(1-difluoroboranyl-3,5-diphenyl-pyrrol-2-yl)methylene]pyrrol-2-yl]dodecanoyloxy]propyl] hexadecanoate
CAS Name:hexadecanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[12-[(5Z)-5-[(1-difluoroboranyl-3,5-diphenyl-2-pyrrolyl)methylidene]-2-pyrrolyl]-1-oxododecoxy]propyl] ester
IUPAC Name:[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[12-[(5Z)-5-[(1-difluoroboranyl-3,5-diphenylpyrrol-2-yl)methylidene]pyrrol-2-yl]dodecanoyloxy]propyl] hexadecanoate
Traditional Name:palmitic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[12-[(5Z)-5-[(1-difluoroboranyl-3,5-diphenyl-pyrrol-2-yl)methylene]pyrrol-2-yl]dodecanoyloxy]propyl] ester
Formula: C54H79BF2N3O8P
MolecularWeight: 978.001927
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Descriptors Computed from Structure

Canonical SMILES:

B(N1C(=CC(=C1C=C2C=CC(=N2)CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)C3=CC=CC=C3)C4=CC=CC=C4)(F)F


Isomeric SMILES

B(N1C(=CC(=C1/C=C\2/C=CC(=N2)CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)C3=CC=CC=C3)C4=CC=CC=C4)(F)F


InChI

InChI=1S/C54H79BF2N3O8P/c1-2-3-4-5-6-7-8-9-10-13-16-19-28-35-53(61)65-43-49(44-67-69(63,64)66-40-39-58)68-54(62)36-29-20-17-14-11-12-15-18-27-34-47-37-38-48(59-47)41-52-50(45-30-23-21-24-31-45)42-51(60(52)55(56)57)46-32-25-22-26-33-46/h21-26,30-33,37-38,41-42,49H,2-20,27-29,34-36,39-40,43-44,58H2,1H3,(H,63,64)/b48-41-


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