[3-azanyl-2,4,6-tris(iodanyl)phenyl] (E)-2-[1-[3-azanyl-2,4,6-tris(iodanyl)phenyl]butyl]-2-[2,3-bis(oxidanyl)propyl]-3-oxidanylidene-icos-11-enoate

Systemtic Name: [3-azanyl-2,4,6-tris(iodanyl)phenyl] (E)-2-[1-[3-azanyl-2,4,6-tris(iodanyl)phenyl]butyl]-2-[2,3-bis(oxidanyl)propyl]-3-oxidanylidene-icos-11-enoate Openeye Name: (3-amino-2,4,6-triiodo-phenyl) (E)-2-[1-(3-amino-2,4,6-triiodo-phenyl)butyl]-2-(2,3-dihydroxypropyl)-3-oxo-icos-11-enoate CAS Name: (E)-2-[1-(3-amino-2,4,6-triiodophenyl)butyl]-2-(2,3-dihydroxypropyl)-3-oxo-11-eicosenoic acid (3-amino-2,4,6-triiodophenyl) ester IUPAC Name: (3-amino-2,4,6-triiodophenyl) (E)-2-[1-(3-amino-2,4,6-triiodophenyl)butyl]-2-(2,3-dihydroxypropyl)-3-oxoicos-11-enoate Traditional Name: (E)-2-[1-(3-amino-2,4,6-triiodo-phenyl)butyl]-2-glyceryl-3-keto-eicos-11-enoic acid (3-amino-2,4,6-triiodo-phenyl) ester Formula: C39H54I6N2O5 MolecularWeight: 1392.28328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(CC(CO)O)(C(CCC)C1=C(C(=C(C=C1I)I)N)I)C(=O)OC2=C(C=C(C(=C2I)N)I)I

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(CC(CO)O)(C(CCC)C1=C(C(=C(C=C1I)I)N)I)C(=O)OC2=C(C=C(C(=C2I)N)I)I

InChI

InChI=1S/C39H54I6N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-31(50)39(23-25(49)24-48,38(51)52-37-30(43)22-29(42)36(47)34(37)45)26(19-4-2)32-27(40)21-28(41)35(46)33(32)44/h11-12,21-22,25-26,48-49H,3-10,13-20,23-24,46-47H2,1-2H3/b12-11+