1,3-di(hexadecanoyloxy)propan-2-yl 17-[3-azanyl-2,4,6-tris(iodanyl)phenyl]heptadecanoate

Systemtic Name: 1,3-di(hexadecanoyloxy)propan-2-yl 17-[3-azanyl-2,4,6-tris(iodanyl)phenyl]heptadecanoate Openeye Name: [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] 17-(3-amino-2,4,6-triiodo-phenyl)heptadecanoate CAS Name: 17-(3-amino-2,4,6-triiodophenyl)heptadecanoic acid 1,3-bis(1-oxohexadecoxy)propan-2-yl ester IUPAC Name: 1,3-di(hexadecanoyloxy)propan-2-yl 17-(3-amino-2,4,6-triiodophenyl)heptadecanoate Traditional Name: 17-(3-amino-2,4,6-triiodo-phenyl)heptadecanoic acid [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] ester Formula: C58H102I3NO6 MolecularWeight: 1290.14699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1I)I)N)I

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1I)I)N)I

InChI

InChI=1S/C58H102I3NO6/c1-3-5-7-9-11-13-15-19-24-28-32-36-40-44-54(63)66-48-50(49-67-55(64)45-41-37-33-29-25-20-16-14-12-10-8-6-4-2)68-56(65)46-42-38-34-30-26-22-18-17-21-23-27-31-35-39-43-51-52(59)47-53(60)58(62)57(51)61/h47,50H,3-46,48-49,62H2,1-2H3