2-(2-iodanylpyren-1-yl)ethanoic acid

Systemtic Name: 2-(2-iodanylpyren-1-yl)ethanoic acid Openeye Name: 2-(2-iodopyren-1-yl)acetic acid CAS Name: 2-(2-iodo-1-pyrenyl)acetic acid IUPAC Name: 2-(2-iodopyren-1-yl)acetic acid Traditional Name: 2-(2-iodopyren-1-yl)acetic acid Formula: C18H11IO2 MolecularWeight: 386.18321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4CC(=O)O)I)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4CC(=O)O)I)C=C2

InChI

InChI=1S/C18H11IO2/c19-15-8-12-5-4-10-2-1-3-11-6-7-13(18(12)17(10)11)14(15)9-16(20)21/h1-8H,9H2,(H,20,21)