3-[5,5-dimethyl-2-(4-methylsulfonylphenyl)-4-oxidanylidene-furan-3-yl]benzaldehyde

Systemtic Name: 3-[5,5-dimethyl-2-(4-methylsulfonylphenyl)-4-oxidanylidene-furan-3-yl]benzaldehyde Openeye Name: 3-[5,5-dimethyl-2-(4-methylsulfonylphenyl)-4-oxo-3-furyl]benzaldehyde CAS Name: 3-[5,5-dimethyl-2-(4-methylsulfonylphenyl)-4-oxo-3-furanyl]benzaldehyde IUPAC Name: 3-[5,5-dimethyl-2-(4-methylsulfonylphenyl)-4-oxofuran-3-yl]benzaldehyde Traditional Name: 3-[4-keto-2-(4-mesylphenyl)-5,5-dimethyl-3-furyl]benzaldehyde Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O5S/c1-20(2)19(22)17(15-6-4-5-13(11-15)12-21)18(25-20)14-7-9-16(10-8-14)26(3,23)24/h4-12H,1-3H3