2-butoxy-5-iodanyl-benzoic acid

Systemtic Name: 2-butoxy-5-iodanyl-benzoic acid Openeye Name: 2-butoxy-5-iodo-benzoic acid CAS Name: 2-butoxy-5-iodobenzoic acid IUPAC Name: 2-butoxy-5-iodobenzoic acid Traditional Name: 2-butoxy-5-iodo-benzoic acid Formula: C11H13IO3 MolecularWeight: 320.12359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)I)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)I)C(=O)O

InChI

InChI=1S/C11H13IO3/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)