3-iodanyl-4-(oxan-4-ylmethoxy)benzoic acid

Systemtic Name: 3-iodanyl-4-(oxan-4-ylmethoxy)benzoic acid Openeye Name: 3-iodo-4-(tetrahydropyran-4-ylmethoxy)benzoic acid CAS Name: 3-iodo-4-(4-oxanylmethoxy)benzoic acid IUPAC Name: 3-iodo-4-(oxan-4-ylmethoxy)benzoic acid Traditional Name: 3-iodo-4-(tetrahydropyran-4-ylmethoxy)benzoic acid Formula: C13H15IO4 MolecularWeight: 362.16027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1COC2=C(C=C(C=C2)C(=O)O)I

Isomeric SMILES

C1COCCC1COC2=C(C=C(C=C2)C(=O)O)I

InChI

InChI=1S/C13H15IO4/c14-11-7-10(13(15)16)1-2-12(11)18-8-9-3-5-17-6-4-9/h1-2,7,9H,3-6,8H2,(H,15,16)