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

Systemtic Name: 4-[6-methyl-2-(4-methylsulfonylphenyl)-4-oxidanylidene-pyran-3-yl]oxybenzoic acid Openeye Name: 4-[6-methyl-2-(4-methylsulfonylphenyl)-4-oxo-pyran-3-yl]oxybenzoic acid CAS Name: 4-[[6-methyl-2-(4-methylsulfonylphenyl)-4-oxo-3-pyranyl]oxy]benzoic acid IUPAC Name: 4-[6-methyl-2-(4-methylsulfonylphenyl)-4-oxopyran-3-yl]oxybenzoic acid Traditional Name: 4-[4-keto-2-(4-mesylphenyl)-6-methyl-pyran-3-yl]oxybenzoic acid Formula: C20H16O7S MolecularWeight: 400.40184

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H16O7S/c1-12-11-17(21)19(27-15-7-3-14(4-8-15)20(22)23)18(26-12)13-5-9-16(10-6-13)28(2,24)25/h3-11H,1-2H3,(H,22,23)