3-iodanyl-4-methyl-benzoate

Systemtic Name: 3-iodanyl-4-methyl-benzoate Openeye Name: 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoate IUPAC Name: 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoate Formula: C8H6IO2- MolecularWeight: 261.03651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])I

InChI

InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)/p-1