5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-propoxy-furan-2-one

Systemtic Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-propoxy-furan-2-one Openeye Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-propoxy-furan-2-one CAS Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-propoxy-2-furanone IUPAC Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-propoxyfuran-2-one Traditional Name: 4-(4-mesylphenyl)-5,5-dimethyl-3-propoxy-furan-2-one Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(OC1=O)(C)C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCOC1=C(C(OC1=O)(C)C)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H20O5S/c1-5-10-20-14-13(16(2,3)21-15(14)17)11-6-8-12(9-7-11)22(4,18)19/h6-9H,5,10H2,1-4H3