2-(3-iodanyl-5-nitro-4-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-(3-iodanyl-5-nitro-4-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-(4-hydroxy-3-iodanyl-5-nitro-phenyl)acetic acid CAS Name: 2-(4-hydroxy-3-iodanyl-5-nitrophenyl)acetic acid IUPAC Name: 2-(4-hydroxy-3-iodanyl-5-nitrophenyl)acetic acid Traditional Name: 2-(4-hydroxy-3-iodanyl-5-nitro-phenyl)acetic acid Formula: C8H6INO5 MolecularWeight: 327.043064

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)I)CC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[131I])CC(=O)O

InChI

InChI=1S/C8H6INO5/c9-5-1-4(3-7(11)12)2-6(8(5)13)10(14)15/h1-2,13H,3H2,(H,11,12)/i9+4