5-(ethanoylcarbamoyl)-4-iodosyl-benzene-1,3-disulfonic acid

Systemtic Name: 5-(ethanoylcarbamoyl)-4-iodosyl-benzene-1,3-disulfonic acid Openeye Name: 5-(acetylcarbamoyl)-4-iodosyl-benzene-1,3-disulfonic acid CAS Name: 5-[acetamido(oxo)methyl]-4-iodosylbenzene-1,3-disulfonic acid IUPAC Name: 5-(acetylcarbamoyl)-4-iodosylbenzene-1,3-disulfonic acid Traditional Name: 5-(acetylcarbamoyl)-4-iodosyl-benzene-1,3-disulfonic acid Formula: C9H8INO9S2 MolecularWeight: 465.19559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)C1=CC(=CC(=C1I=O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC(=O)C1=CC(=CC(=C1I=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H8INO9S2/c1-4(12)11-9(13)6-2-5(21(15,16)17)3-7(8(6)10-14)22(18,19)20/h2-3H,1H3,(H,11,12,13)(H,15,16,17)(H,18,19,20)