[3-[2-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]ethoxy-oxidanyl-phosphanyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[2-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]ethoxy-oxidanyl-phosphanyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[2-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]ethoxy-hydroxy-phosphanyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[2-[3,6-bis(dimethylamino)-10-acridin-10-iumyl]ethoxy-hydroxyphosphino]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[2-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]ethoxy-hydroxyphosphanyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[2-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]ethoxy-hydroxy-phosphino]oxy-2-hexadecanoyloxy-propyl] ester Formula: C54H91N3O7P+ MolecularWeight: 925.290001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(O)OCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N(C)C)N(C)C)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(O)OCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N(C)C)N(C)C)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C54H91N3O7P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(58)61-44-50(64-54(59)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-63-65(60)62-40-39-57-51-42-48(55(3)4)37-35-46(51)41-47-36-38-49(56(5)6)43-52(47)57/h35-38,41-43,50,60H,7-34,39-40,44-45H2,1-6H3/q+1