2-(2-iodanyl-5-methyl-phenyl)ethanoic acid

Systemtic Name: 2-(2-iodanyl-5-methyl-phenyl)ethanoic acid Openeye Name: 2-(2-iodo-5-methyl-phenyl)acetic acid CAS Name: 2-(2-iodo-5-methylphenyl)acetic acid IUPAC Name: 2-(2-iodo-5-methylphenyl)acetic acid Traditional Name: 2-(2-iodo-5-methyl-phenyl)acetic acid Formula: C9H9IO2 MolecularWeight: 276.07103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)I)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)I)CC(=O)O

InChI

InChI=1S/C9H9IO2/c1-6-2-3-8(10)7(4-6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)