[2-[2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]butanoyloxy]-3-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [2-[2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]butanoyloxy]-3-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [2-[2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoyloxy]-3-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-[2-[(3-amino-2,4,6-triiodophenyl)methyl]-1-oxobutoxy]-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-[2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoyloxy]-3-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [2-[2-(3-amino-2,4,6-triiodo-benzyl)butanoyloxy]-3-hexadecanoyloxy-propyl] ester Formula: C46H78I3NO6 MolecularWeight: 1121.82803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(CC)CC1=C(C(=C(C=C1I)I)N)I

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(CC)CC1=C(C(=C(C=C1I)I)N)I

InChI

InChI=1S/C46H78I3NO6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-42(51)54-35-38(56-46(53)37(6-3)33-39-40(47)34-41(48)45(50)44(39)49)36-55-43(52)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h34,37-38H,4-33,35-36,50H2,1-3H3