3-[(4-iodanylphenoxy)methyl]-5-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-[(4-iodanylphenoxy)methyl]-5-methyl-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-[(4-iodophenoxy)methyl]-5-methyl-benzoic acid CAS Name: 2-hydroxy-3-[(4-iodophenoxy)methyl]-5-methylbenzoic acid IUPAC Name: 2-hydroxy-3-[(4-iodophenoxy)methyl]-5-methylbenzoic acid Traditional Name: 2-hydroxy-3-[(4-iodophenoxy)methyl]-5-methyl-benzoic acid Formula: C15H13IO4 MolecularWeight: 384.16579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)O)COC2=CC=C(C=C2)I

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)O)COC2=CC=C(C=C2)I

InChI

InChI=1S/C15H13IO4/c1-9-6-10(14(17)13(7-9)15(18)19)8-20-12-4-2-11(16)3-5-12/h2-7,17H,8H2,1H3,(H,18,19)