methyl 2-[5-(4-chloranylphenoxy)-6-(4-methylsulfonylphenyl)-4-oxidanylidene-pyran-2-yl]ethanoate

Systemtic Name: methyl 2-[5-(4-chloranylphenoxy)-6-(4-methylsulfonylphenyl)-4-oxidanylidene-pyran-2-yl]ethanoate Openeye Name: methyl 2-[5-(4-chlorophenoxy)-6-(4-methylsulfonylphenyl)-4-oxo-pyran-2-yl]acetate CAS Name: 2-[5-(4-chlorophenoxy)-6-(4-methylsulfonylphenyl)-4-oxo-2-pyranyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-chlorophenoxy)-6-(4-methylsulfonylphenyl)-4-oxopyran-2-yl]acetate Traditional Name: 2-[5-(4-chlorophenoxy)-4-keto-6-(4-mesylphenyl)pyran-2-yl]acetic acid methyl ester Formula: C21H17ClO7S MolecularWeight: 448.87348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CC1=CC(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClO7S/c1-27-19(24)12-16-11-18(23)21(28-15-7-5-14(22)6-8-15)20(29-16)13-3-9-17(10-4-13)30(2,25)26/h3-11H,12H2,1-2H3