3-[(4-iodanyl-3-phenyl-1H-isochromen-1-yl)oxy]cyclohex-2-en-1-one

Systemtic Name: 3-[(4-iodanyl-3-phenyl-1H-isochromen-1-yl)oxy]cyclohex-2-en-1-one Openeye Name: 3-[(4-iodo-3-phenyl-1H-isochromen-1-yl)oxy]cyclohex-2-en-1-one CAS Name: 3-[(4-iodo-3-phenyl-1H-2-benzopyran-1-yl)oxy]-1-cyclohex-2-enone IUPAC Name: 3-[(4-iodo-3-phenyl-1H-isochromen-1-yl)oxy]cyclohex-2-en-1-one Traditional Name: 3-[(4-iodo-3-phenyl-1H-isochromen-1-yl)oxy]cyclohex-2-en-1-one Formula: C21H17IO3 MolecularWeight: 444.26235

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)OC2C3=CC=CC=C3C(=C(O2)C4=CC=CC=C4)I

Isomeric SMILES

C1CC(=CC(=O)C1)OC2C3=CC=CC=C3C(=C(O2)C4=CC=CC=C4)I

InChI

InChI=1S/C21H17IO3/c22-19-17-11-4-5-12-18(17)21(24-16-10-6-9-15(23)13-16)25-20(19)14-7-2-1-3-8-14/h1-5,7-8,11-13,21H,6,9-10H2