3-[(4-iodanyl-3-phenyl-1H-isochromen-1-yl)oxy]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[(4-iodanyl-3-phenyl-1H-isochromen-1-yl)oxy]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[(4-iodo-3-phenyl-1H-isochromen-1-yl)oxy]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[(4-iodo-3-phenyl-1H-2-benzopyran-1-yl)oxy]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[(4-iodo-3-phenyl-1H-isochromen-1-yl)oxy]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[(4-iodo-3-phenyl-1H-isochromen-1-yl)oxy]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C23H21IO3 MolecularWeight: 472.31551

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC2C3=CC=CC=C3C(=C(O2)C4=CC=CC=C4)I)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC2C3=CC=CC=C3C(=C(O2)C4=CC=CC=C4)I)C

InChI

InChI=1S/C23H21IO3/c1-23(2)13-16(25)12-17(14-23)26-22-19-11-7-6-10-18(19)20(24)21(27-22)15-8-4-3-5-9-15/h3-12,22H,13-14H2,1-2H3