[2-acetyloxy-3-[[3-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-tris(iodanyl)phenyl]amino]propyl] ethanoate

Systemtic Name: [2-acetyloxy-3-[[3-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-tris(iodanyl)phenyl]amino]propyl] ethanoate Openeye Name: [2-acetoxy-3-[3-(2,3-diacetoxypropylcarbamoyl)-2,4,6-triiodo-anilino]propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-[3-[(2,3-diacetyloxypropylamino)-oxomethyl]-2,4,6-triiodoanilino]propyl] ester IUPAC Name: [2-acetyloxy-3-[3-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodoanilino]propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-[3-(2,3-diacetoxypropylcarbamoyl)-2,4,6-triiodo-anilino]propyl] ester Formula: C21H25I3N2O9 MolecularWeight: 830.14461

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CNC1=C(C=C(C(=C1I)C(=O)NCC(COC(=O)C)OC(=O)C)I)I)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CNC1=C(C=C(C(=C1I)C(=O)NCC(COC(=O)C)OC(=O)C)I)I)OC(=O)C

InChI

InChI=1S/C21H25I3N2O9/c1-10(27)32-8-14(34-12(3)29)6-25-20-17(23)5-16(22)18(19(20)24)21(31)26-7-15(35-13(4)30)9-33-11(2)28/h5,14-15,25H,6-9H2,1-4H3,(H,26,31)