(3-fluoranyl-4-methoxy-phenyl)methyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C19H19FO3S2 MolecularWeight: 378.480763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)C3SCCCS3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)C3SCCCS3)F

InChI

InChI=1S/C19H19FO3S2/c1-22-17-8-3-13(11-16(17)20)12-23-18(21)14-4-6-15(7-5-14)19-24-9-2-10-25-19/h3-8,11,19H,2,9-10,12H2,1H3