acetamido-azanyl-[3-carboxy-2,4,6-tris(iodanyl)-5-methyl-phenyl]-ethanoyl-azanium

Systemtic Name: acetamido-azanyl-[3-carboxy-2,4,6-tris(iodanyl)-5-methyl-phenyl]-ethanoyl-azanium Openeye Name: acetamido-acetyl-amino-(3-carboxy-2,4,6-triiodo-5-methyl-phenyl)ammonium CAS Name: acetamido-acetyl-amino-(3-carboxy-2,4,6-triiodo-5-methylphenyl)ammonium IUPAC Name: acetamido-acetyl-amino-(3-carboxy-2,4,6-triiodo-5-methylphenyl)azanium Traditional Name: acetamido-acetyl-amino-(3-carboxy-2,4,6-triiodo-5-methyl-phenyl)ammonium Formula: C12H13I3N3O4+ MolecularWeight: 643.96273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1I)C(=O)O)I)[N+](C(=O)C)(N)NC(=O)C)I

Isomeric SMILES

CC1=C(C(=C(C(=C1I)C(=O)O)I)[N+](C(=O)C)(N)NC(=O)C)I

InChI

InChI=1S/C12H12I3N3O4/c1-4-8(13)7(12(21)22)10(15)11(9(4)14)18(16,6(3)20)17-5(2)19/h16H2,1-3H3,(H-,17,19,21,22)/p+1