methyl 1-(4-iodanyl-3-phenyl-1H-isochromen-1-yl)cyclohexane-1-carboxylate

Systemtic Name: methyl 1-(4-iodanyl-3-phenyl-1H-isochromen-1-yl)cyclohexane-1-carboxylate Openeye Name: methyl 1-(4-iodo-3-phenyl-1H-isochromen-1-yl)cyclohexanecarboxylate CAS Name: 1-(4-iodo-3-phenyl-1H-2-benzopyran-1-yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-iodo-3-phenyl-1H-isochromen-1-yl)cyclohexane-1-carboxylate Traditional Name: 1-(4-iodo-3-phenyl-1H-isochromen-1-yl)cyclohexanecarboxylic acid methyl ester Formula: C23H23IO3 MolecularWeight: 474.33139

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)C2C3=CC=CC=C3C(=C(O2)C4=CC=CC=C4)I

Isomeric SMILES

COC(=O)C1(CCCCC1)C2C3=CC=CC=C3C(=C(O2)C4=CC=CC=C4)I

InChI

InChI=1S/C23H23IO3/c1-26-22(25)23(14-8-3-9-15-23)21-18-13-7-6-12-17(18)19(24)20(27-21)16-10-4-2-5-11-16/h2,4-7,10-13,21H,3,8-9,14-15H2,1H3