1-(2,4,6-trimethylphenyl)sulfonyloct-3-yn-2-one

Systemtic Name: 1-(2,4,6-trimethylphenyl)sulfonyloct-3-yn-2-one Openeye Name: 1-(2,4,6-trimethylphenyl)sulfonyloct-3-yn-2-one CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-3-octyn-2-one IUPAC Name: 1-(2,4,6-trimethylphenyl)sulfonyloct-3-yn-2-one Traditional Name: 1-mesitylsulfonyloct-3-yn-2-one Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=O)CS(=O)(=O)C1=C(C=C(C=C1C)C)C

Isomeric SMILES

CCCCC#CC(=O)CS(=O)(=O)C1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C17H22O3S/c1-5-6-7-8-9-16(18)12-21(19,20)17-14(3)10-13(2)11-15(17)4/h10-11H,5-7,12H2,1-4H3