5-iodanyl-2-(2-pyrrol-1-ylethyl)benzoic acid

Systemtic Name: 5-iodanyl-2-(2-pyrrol-1-ylethyl)benzoic acid Openeye Name: 5-iodo-2-(2-pyrrol-1-ylethyl)benzoic acid CAS Name: 5-iodo-2-[2-(1-pyrrolyl)ethyl]benzoic acid IUPAC Name: 5-iodo-2-(2-pyrrol-1-ylethyl)benzoic acid Traditional Name: 5-iodo-2-(2-pyrrol-1-ylethyl)benzoic acid Formula: C13H12INO2 MolecularWeight: 341.14435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CCC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

C1=CN(C=C1)CCC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C13H12INO2/c14-11-4-3-10(12(9-11)13(16)17)5-8-15-6-1-2-7-15/h1-4,6-7,9H,5,8H2,(H,16,17)