3-but-3-yn-2-yloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

Systemtic Name: 3-but-3-yn-2-yloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Openeye Name: 5,5-dimethyl-3-(1-methylprop-2-ynoxy)-4-(4-methylsulfonylphenyl)furan-2-one CAS Name: 3-but-3-yn-2-yloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-furanone IUPAC Name: 3-but-3-yn-2-yloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Traditional Name: 4-(4-mesylphenyl)-5,5-dimethyl-3-(1-methylprop-2-ynoxy)furan-2-one Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O5S/c1-6-11(2)21-15-14(17(3,4)22-16(15)18)12-7-9-13(10-8-12)23(5,19)20/h1,7-11H,2-5H3