[2-[[3-[2,3-bis(oxidanyl)propylcarbamoyl]-5-carbonochloridoyl-2,4,6-tris(iodanyl)phenyl]amino]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[[3-[2,3-bis(oxidanyl)propylcarbamoyl]-5-carbonochloridoyl-2,4,6-tris(iodanyl)phenyl]amino]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[3-chlorocarbonyl-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-anilino]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[3-carbonochloridoyl-5-[(2,3-dihydroxypropylamino)-oxomethyl]-2,4,6-triiodoanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-carbonochloridoyl-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[3-chlorocarbonyl-5-(glycerylcarbamoyl)-2,4,6-triiodo-anilino]-2-keto-ethyl] ester Formula: C15H14ClI3N2O7 MolecularWeight: 750.44727

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)NC1=C(C(=C(C(=C1I)C(=O)Cl)I)C(=O)NCC(CO)O)I

Isomeric SMILES

CC(=O)OCC(=O)NC1=C(C(=C(C(=C1I)C(=O)Cl)I)C(=O)NCC(CO)O)I

InChI

InChI=1S/C15H14ClI3N2O7/c1-5(23)28-4-7(25)21-13-11(18)8(14(16)26)10(17)9(12(13)19)15(27)20-2-6(24)3-22/h6,22,24H,2-4H2,1H3,(H,20,27)(H,21,25)