4-iodanyl-3-(2-methylsulfanylphenyl)isochromen-1-one

Systemtic Name: 4-iodanyl-3-(2-methylsulfanylphenyl)isochromen-1-one Openeye Name: 4-iodo-3-(2-methylsulfanylphenyl)isochromen-1-one CAS Name: 4-iodo-3-[2-(methylthio)phenyl]-2-benzopyran-1-one IUPAC Name: 4-iodo-3-(2-methylsulfanylphenyl)isochromen-1-one Traditional Name: 4-iodo-3-[2-(methylthio)phenyl]isocoumarin Formula: C16H11IO2S MolecularWeight: 394.22681

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C(C3=CC=CC=C3C(=O)O2)I

Isomeric SMILES

CSC1=CC=CC=C1C2=C(C3=CC=CC=C3C(=O)O2)I

InChI

InChI=1S/C16H11IO2S/c1-20-13-9-5-4-8-12(13)15-14(17)10-6-2-3-7-11(10)16(18)19-15/h2-9H,1H3