1-ethynylsulfonylethyne; 1,3,5-trimethylbenzene

Systemtic Name: 1-ethynylsulfonylethyne; 1,3,5-trimethylbenzene Openeye Name: 1-ethynylsulfonylacetylene; mesitylene CAS Name: 1-ethynylsulfonylethyne; 1,3,5-trimethylbenzene IUPAC Name: 1-ethynylsulfonylethyne; 1,3,5-trimethylbenzene Traditional Name: 1-ethynylsulfonylacetylene; mesitylene Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C)C.C#CS(=O)(=O)C#C

Isomeric SMILES

CC1=CC(=CC(=C1)C)C.C#CS(=O)(=O)C#C

InChI

InChI=1S/C9H12.C4H2O2S/c1-7-4-8(2)6-9(3)5-7;1-3-7(5,6)4-2/h4-6H,1-3H3;1-2H