Molecule ID: 3862646

IUPAC Name: 3,5-diacetamido-2,4,6-triiodobenzoate

Description: The molecule is the anion obtained by removal of the proton from the carboxylic acid group of amidotrizoic acid. It has a role as a topical anaesthetic. It is a conjugate base of an amidotrizoic acid.

SMILES: CC([O-])=Nc1c(I)c(N=C(C)O)c(I)c(C(=O)O)c1I

SELFIES: [C][C][Branch1][C][O-1][=N][C][=C][Branch1][C][I][C][Branch1][#Branch1][N][=C][Branch1][C][C][O][=C][Branch1][C][I][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#C][I]

InChI: InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)/p-1

Molecular Properties:
- Polar Surface Area: 98.3 Ų
- LogP: 2.4