methyl 2-(4-fluoranyl-1-oxidanyl-butan-2-yl)-6-(4-iodophenyl)benzoate

Systemtic Name: methyl 2-(4-fluoranyl-1-oxidanyl-butan-2-yl)-6-(4-iodophenyl)benzoate Openeye Name: methyl 2-[3-fluoro-1-(hydroxymethyl)propyl]-6-(4-iodophenyl)benzoate CAS Name: 2-(4-fluoro-1-hydroxybutan-2-yl)-6-(4-iodophenyl)benzoic acid methyl ester IUPAC Name: methyl 2-(4-fluoro-1-hydroxybutan-2-yl)-6-(4-iodophenyl)benzoate Traditional Name: 2-(3-fluoro-1-methylol-propyl)-6-(4-iodophenyl)benzoic acid methyl ester Formula: C18H18FIO3 MolecularWeight: 428.236593

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1C(CCF)CO)C2=CC=C(C=C2)I

Isomeric SMILES

COC(=O)C1=C(C=CC=C1C(CCF)CO)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H18FIO3/c1-23-18(22)17-15(12-5-7-14(20)8-6-12)3-2-4-16(17)13(11-21)9-10-19/h2-8,13,21H,9-11H2,1H3