5-cyano-4-iodanyl-2-prop-2-enoxy-benzoic acid

Systemtic Name: 5-cyano-4-iodanyl-2-prop-2-enoxy-benzoic acid Openeye Name: 2-allyloxy-5-cyano-4-iodo-benzoic acid CAS Name: 5-cyano-4-iodo-2-prop-2-enoxybenzoic acid IUPAC Name: 5-cyano-4-iodo-2-prop-2-enoxybenzoic acid Traditional Name: 2-allyloxy-5-cyano-4-iodo-benzoic acid Formula: C11H8INO3 MolecularWeight: 329.09059

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C(=C1)I)C#N)C(=O)O

Isomeric SMILES

C=CCOC1=C(C=C(C(=C1)I)C#N)C(=O)O

InChI

InChI=1S/C11H8INO3/c1-2-3-16-10-5-9(12)7(6-13)4-8(10)11(14)15/h2,4-5H,1,3H2,(H,14,15)