1-hexoxycarbonyloxyethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 1-hexoxycarbonyloxyethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: 1-hexoxycarbonyloxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid 1-[hexoxy(oxo)methoxy]ethyl ester IUPAC Name: 1-hexoxycarbonyloxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid 1-hexoxycarbonyloxyethyl ester Formula: C21H27I3N2O7 MolecularWeight: 800.16169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OC(C)OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCCCCCOC(=O)OC(C)OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C21H27I3N2O7/c1-6-7-8-9-10-31-21(30)33-13(4)32-20(29)14-15(22)18(25-11(2)27)17(24)19(16(14)23)26(5)12(3)28/h13H,6-10H2,1-5H3,(H,25,27)