2,4,6-Triiodo-5-(methylamino)-1,3-benzenedicarboxylic acid

CAS Registry Number®

40976-89-4
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CAS Name

2,4,6-Triiodo-5-(methylamino)-1,3-benzenedicarboxylic acid

Molecular Formula

C9H6I3NO4

Molecular Mass

572.86

Cite this Page

2,4,6-Triiodo-5-(methylamino)-1,3-benzenedicarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40976-89-4 (retrieved 2024-08-16) (CAS RN: 40976-89-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H6I3NO4/c1-13-7-5(11)2(8(14)15)4(10)3(6(7)12)9(16)17/h13H,1H3,(H,14,15)(H,16,17)

InChIKey

InChIKey=WBJREMGRYVPNKY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 2,4,6-triiodo-5-(methylamino)-
  • 2,4,6-Triiodo-5-(methylamino)-1,3-benzenedicarboxylic acid
  • 2,4,6-Triiodo-5-(methylamino)isophthalic acid