4-iodanyl-6-methyl-3-phenyl-isochromen-1-one

Systemtic Name: 4-iodanyl-6-methyl-3-phenyl-isochromen-1-one Openeye Name: 4-iodo-6-methyl-3-phenyl-isochromen-1-one CAS Name: 4-iodo-6-methyl-3-phenyl-2-benzopyran-1-one IUPAC Name: 4-iodo-6-methyl-3-phenylisochromen-1-one Traditional Name: 4-iodo-6-methyl-3-phenyl-isocoumarin Formula: C16H11IO2 MolecularWeight: 362.16181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(=C2I)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(=C2I)C3=CC=CC=C3

InChI

InChI=1S/C16H11IO2/c1-10-7-8-12-13(9-10)14(17)15(19-16(12)18)11-5-3-2-4-6-11/h2-9H,1H3