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

Systemtic Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-prop-2-ynoxy-furan-2-one Openeye Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-prop-2-ynoxy-furan-2-one CAS Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-prop-2-ynoxy-2-furanone IUPAC Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-prop-2-ynoxyfuran-2-one Traditional Name: 4-(4-mesylphenyl)-5,5-dimethyl-3-propargyloxy-furan-2-one Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)OCC#C)C2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)OCC#C)C2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C16H16O5S/c1-5-10-20-14-13(16(2,3)21-15(14)17)11-6-8-12(9-7-11)22(4,18)19/h1,6-9H,10H2,2-4H3