pyren-1-ylmethyl 2-iodanylethanoate

Systemtic Name: pyren-1-ylmethyl 2-iodanylethanoate Openeye Name: pyren-1-ylmethyl 2-iodoacetate CAS Name: 2-iodoacetic acid 1-pyrenylmethyl ester IUPAC Name: pyren-1-ylmethyl 2-iodoacetate Traditional Name: 2-iodoacetic acid pyren-1-ylmethyl ester Formula: C19H13IO2 MolecularWeight: 400.20979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COC(=O)CI

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COC(=O)CI

InChI

InChI=1S/C19H13IO2/c20-10-17(21)22-11-15-7-6-14-5-4-12-2-1-3-13-8-9-16(15)19(14)18(12)13/h1-9H,10-11H2