methyl 4-[6-methyl-2-(4-methylsulfonylphenyl)-4-oxidanylidene-pyran-3-yl]oxybenzoate

Systemtic Name: methyl 4-[6-methyl-2-(4-methylsulfonylphenyl)-4-oxidanylidene-pyran-3-yl]oxybenzoate Openeye Name: methyl 4-[6-methyl-2-(4-methylsulfonylphenyl)-4-oxo-pyran-3-yl]oxybenzoate CAS Name: 4-[[6-methyl-2-(4-methylsulfonylphenyl)-4-oxo-3-pyranyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-methyl-2-(4-methylsulfonylphenyl)-4-oxopyran-3-yl]oxybenzoate Traditional Name: 4-[4-keto-2-(4-mesylphenyl)-6-methyl-pyran-3-yl]oxybenzoic acid methyl ester Formula: C21H18O7S MolecularWeight: 414.42842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O7S/c1-13-12-18(22)20(28-16-8-4-15(5-9-16)21(23)26-2)19(27-13)14-6-10-17(11-7-14)29(3,24)25/h4-12H,1-3H3