3-iodanyl-4-pentoxy-benzoic acid

Systemtic Name: 3-iodanyl-4-pentoxy-benzoic acid Openeye Name: 3-iodo-4-pentoxy-benzoic acid CAS Name: 3-iodo-4-pentoxybenzoic acid IUPAC Name: 3-iodo-4-pentoxybenzoic acid Traditional Name: 4-amoxy-3-iodo-benzoic acid Formula: C12H15IO3 MolecularWeight: 334.15017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(=O)O)I

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(=O)O)I

InChI

InChI=1S/C12H15IO3/c1-2-3-4-7-16-11-6-5-9(12(14)15)8-10(11)13/h5-6,8H,2-4,7H2,1H3,(H,14,15)