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

Systemtic Name: 5-(ethanoylcarbamoyl)-4-iodyl-benzene-1,3-disulfonic acid Openeye Name: 5-(acetylcarbamoyl)-4-iodyl-benzene-1,3-disulfonic acid CAS Name: 5-[acetamido(oxo)methyl]-4-iodylbenzene-1,3-disulfonic acid IUPAC Name: 5-(acetylcarbamoyl)-4-iodylbenzene-1,3-disulfonic acid Traditional Name: 5-(acetylcarbamoyl)-4-iodyl-benzene-1,3-disulfonic acid Formula: C9H8INO10S2 MolecularWeight: 481.19499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8INO10S2/c1-4(12)11-9(13)6-2-5(22(16,17)18)3-7(23(19,20)21)8(6)10(14)15/h2-3H,1H3,(H,11,12,13)(H,16,17,18)(H,19,20,21)