Molecule ID: 3723

IUPAC Name: 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid

Description: The molecule is a benzoic acid compound having iodo substituents at the 2-, 4- and 6-positions, an acetamido substituent at the 3-position and an acetamidomethyl substituent at the 5-position. It has a role as a radioopaque medium. It is a member of benzoic acids and an organoiodine compound.

SMILES: CC(O)=NCc1c(I)c(N=C(C)O)c(I)c(C(=O)O)c1I

SELFIES: [C][C][Branch1][C][O][=N][C][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/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)

Molecular Properties:
- Polar Surface Area: 95.5 Ų
- LogP: 1.7