3-iodanyl-4-pentyl-benzoic acid

Systemtic Name: 3-iodanyl-4-pentyl-benzoic acid Openeye Name: 3-iodo-4-pentyl-benzoic acid CAS Name: 3-iodo-4-pentylbenzoic acid IUPAC Name: 3-iodo-4-pentylbenzoic acid Traditional Name: 4-amyl-3-iodo-benzoic acid Formula: C12H15IO2 MolecularWeight: 318.15077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)O)I

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)O)I

InChI

InChI=1S/C12H15IO2/c1-2-3-4-5-9-6-7-10(12(14)15)8-11(9)13/h6-8H,2-5H2,1H3,(H,14,15)