ethyl 12-[3-azanyl-2,4,6-tris(iodanyl)phenyl]dodecanoate

Systemtic Name: ethyl 12-[3-azanyl-2,4,6-tris(iodanyl)phenyl]dodecanoate Openeye Name: ethyl 12-(3-amino-2,4,6-triiodo-phenyl)dodecanoate CAS Name: 12-(3-amino-2,4,6-triiodophenyl)dodecanoic acid ethyl ester IUPAC Name: ethyl 12-(3-amino-2,4,6-triiodophenyl)dodecanoate Traditional Name: 12-(3-amino-2,4,6-triiodo-phenyl)lauric acid ethyl ester Formula: C20H30I3NO2 MolecularWeight: 697.17111

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCCCCCC1=C(C(=C(C=C1I)I)N)I

Isomeric SMILES

CCOC(=O)CCCCCCCCCCCC1=C(C(=C(C=C1I)I)N)I

InChI

InChI=1S/C20H30I3NO2/c1-2-26-18(25)13-11-9-7-5-3-4-6-8-10-12-15-16(21)14-17(22)20(24)19(15)23/h14H,2-13,24H2,1H3