4-iodanyl-3-[2-(2-methoxyphenyl)ethynyl]isochromen-1-one

Systemtic Name: 4-iodanyl-3-[2-(2-methoxyphenyl)ethynyl]isochromen-1-one Openeye Name: 4-iodo-3-[2-(2-methoxyphenyl)ethynyl]isochromen-1-one CAS Name: 4-iodo-3-[2-(2-methoxyphenyl)ethynyl]-2-benzopyran-1-one IUPAC Name: 4-iodo-3-[2-(2-methoxyphenyl)ethynyl]isochromen-1-one Traditional Name: 4-iodo-3-[2-(2-methoxyphenyl)ethynyl]isocoumarin Formula: C18H11IO3 MolecularWeight: 402.18261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C#CC2=C(C3=CC=CC=C3C(=O)O2)I

Isomeric SMILES

COC1=CC=CC=C1C#CC2=C(C3=CC=CC=C3C(=O)O2)I

InChI

InChI=1S/C18H11IO3/c1-21-15-9-5-2-6-12(15)10-11-16-17(19)13-7-3-4-8-14(13)18(20)22-16/h2-9H,1H3