methyl 2-[bis(iodanyl)amino]-2-iodanyl-3-[4-(4-oxidanylphenoxy)phenyl]propanoate

Systemtic Name: methyl 2-[bis(iodanyl)amino]-2-iodanyl-3-[4-(4-oxidanylphenoxy)phenyl]propanoate Openeye Name: methyl 2-(diiodoamino)-3-[4-(4-hydroxyphenoxy)phenyl]-2-iodo-propanoate CAS Name: 2-(diiodoamino)-3-[4-(4-hydroxyphenoxy)phenyl]-2-iodopropanoic acid methyl ester IUPAC Name: methyl 2-(diiodoamino)-3-[4-(4-hydroxyphenoxy)phenyl]-2-iodopropanoate Traditional Name: 2-(diiodoamino)-3-[4-(4-hydroxyphenoxy)phenyl]-2-iodo-propionic acid methyl ester Formula: C16H14I3NO4 MolecularWeight: 665.00007

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)O)(N(I)I)I

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)O)(N(I)I)I

InChI

InChI=1S/C16H14I3NO4/c1-23-15(22)16(17,20(18)19)10-11-2-6-13(7-3-11)24-14-8-4-12(21)5-9-14/h2-9,21H,10H2,1H3