3-iodanyl-4-pentan-2-yloxy-benzoic acid

Systemtic Name: 3-iodanyl-4-pentan-2-yloxy-benzoic acid Openeye Name: 3-iodo-4-(1-methylbutoxy)benzoic acid CAS Name: 3-iodo-4-pentan-2-yloxybenzoic acid IUPAC Name: 3-iodo-4-pentan-2-yloxybenzoic acid Traditional Name: 3-iodo-4-(1-methylbutoxy)benzoic acid Formula: C12H15IO3 MolecularWeight: 334.15017

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=C(C=C(C=C1)C(=O)O)I

Isomeric SMILES

CCCC(C)OC1=C(C=C(C=C1)C(=O)O)I

InChI

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