N-chloranylethanamide; 3-(hydroxymethyl)-2,4,6-tris(iodanyl)-5-methyl-benzoic acid

Systemtic Name: N-chloranylethanamide; 3-(hydroxymethyl)-2,4,6-tris(iodanyl)-5-methyl-benzoic acid Openeye Name: N-chloroacetamide; 3-(hydroxymethyl)-2,4,6-triiodo-5-methyl-benzoic acid CAS Name: N-chloroacetamide; 3-(hydroxymethyl)-2,4,6-triiodo-5-methylbenzoic acid IUPAC Name: N-chloroacetamide; 3-(hydroxymethyl)-2,4,6-triiodo-5-methylbenzoic acid Traditional Name: N-chloroacetamide; 2,4,6-triiodo-3-methyl-5-methylol-benzoic acid Formula: C11H11ClI3NO4 MolecularWeight: 637.37575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1I)C(=O)O)I)CO)I.CC(=O)NCl

Isomeric SMILES

CC1=C(C(=C(C(=C1I)C(=O)O)I)CO)I.CC(=O)NCl

InChI

InChI=1S/C9H7I3O3.C2H4ClNO/c1-3-6(10)4(2-13)8(12)5(7(3)11)9(14)15;1-2(5)4-3/h13H,2H2,1H3,(H,14,15);1H3,(H,4,5)