3-azanyl-2,4,6-tris(iodanyl)-5-[(1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-[(1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 3-amino-5-(1-carboxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-amino-5-[[(1-hydroxy-1-oxobutan-2-yl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-amino-5-[(1-hydroxy-1-oxobutan-2-yl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-amino-5-(1-carboxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C12H11I3N2O5 MolecularWeight: 643.93955

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I

InChI

InChI=1S/C12H11I3N2O5/c1-2-3(11(19)20)17-10(18)4-6(13)5(12(21)22)8(15)9(16)7(4)14/h3H,2,16H2,1H3,(H,17,18)(H,19,20)(H,21,22)