methyl 17-[3-azanyl-2,4,6-tris(iodanyl)phenyl]heptadecanoate

Systemtic Name: methyl 17-[3-azanyl-2,4,6-tris(iodanyl)phenyl]heptadecanoate Openeye Name: methyl 17-(3-amino-2,4,6-triiodo-phenyl)heptadecanoate CAS Name: 17-(3-amino-2,4,6-triiodophenyl)heptadecanoic acid methyl ester IUPAC Name: methyl 17-(3-amino-2,4,6-triiodophenyl)heptadecanoate Traditional Name: 17-(3-amino-2,4,6-triiodo-phenyl)heptadecanoic acid methyl ester Formula: C24H38I3NO2 MolecularWeight: 753.27743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1I)I)N)I

Isomeric SMILES

COC(=O)CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1I)I)N)I

InChI

InChI=1S/C24H38I3NO2/c1-30-22(29)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-20(25)18-21(26)24(28)23(19)27/h18H,2-17,28H2,1H3