2-[2-acetyloxyethanoyl-[3,5-bis(2,2-diacetyloxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethanoyl-[3,5-bis(2,2-diacetyloxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyacetyl)-3,5-bis(2,2-diacetoxyethylcarbamoyl)-2,4,6-triiodo-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxy-1-oxoethyl)-3,5-bis[(2,2-diacetyloxyethylamino)-oxomethyl]-2,4,6-triiodoanilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyacetyl)-3,5-bis(2,2-diacetyloxyethylcarbamoyl)-2,4,6-triiodoanilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyacetyl)-3,5-bis(2,2-diacetoxyethylcarbamoyl)-2,4,6-triiodo-anilino]ethyl ester Formula: C28H32I3N3O15 MolecularWeight: 1031.27819

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(C1=C(C(=C(C(=C1I)C(=O)NCC(OC(=O)C)OC(=O)C)I)C(=O)NCC(OC(=O)C)OC(=O)C)I)C(=O)COC(=O)C

Isomeric SMILES

CC(=O)OCCN(C1=C(C(=C(C(=C1I)C(=O)NCC(OC(=O)C)OC(=O)C)I)C(=O)NCC(OC(=O)C)OC(=O)C)I)C(=O)COC(=O)C

InChI

InChI=1S/C28H32I3N3O15/c1-12(35)44-8-7-34(18(41)11-45-13(2)36)26-24(30)21(27(42)32-9-19(46-14(3)37)47-15(4)38)23(29)22(25(26)31)28(43)33-10-20(48-16(5)39)49-17(6)40/h19-20H,7-11H2,1-6H3,(H,32,42)(H,33,43)