2-[3-(carboxymethyl)-2-iodyl-5-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-(carboxymethyl)-2-iodyl-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-(carboxymethyl)-2-iodyl-5-methyl-phenyl]acetic acid CAS Name: 2-[3-(carboxymethyl)-2-iodyl-5-methylphenyl]acetic acid IUPAC Name: 2-[3-(carboxymethyl)-2-iodyl-5-methylphenyl]acetic acid Traditional Name: 2-[3-(carboxymethyl)-2-iodyl-5-methyl-phenyl]acetic acid Formula: C11H11IO6 MolecularWeight: 366.10591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11IO6/c1-6-2-7(4-9(13)14)11(12(17)18)8(3-6)5-10(15)16/h2-3H,4-5H2,1H3,(H,13,14)(H,15,16)