[(E)-7,7-dimethyl-3-(phenylsulfonyl)oct-3-en-1,5-diynyl]benzene

Systemtic Name: [(E)-7,7-dimethyl-3-(phenylsulfonyl)oct-3-en-1,5-diynyl]benzene Openeye Name: [(E)-3-(benzenesulfonyl)-7,7-dimethyl-oct-3-en-1,5-diynyl]benzene CAS Name: [(E)-3-(benzenesulfonyl)-7,7-dimethyloct-3-en-1,5-diynyl]benzene IUPAC Name: [(E)-3-(benzenesulfonyl)-7,7-dimethyloct-3-en-1,5-diynyl]benzene Traditional Name: [(E)-3-besyl-7,7-dimethyl-oct-3-en-1,5-diynyl]benzene Formula: C22H20O2S MolecularWeight: 348.458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=C(C#CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C#C/C=C(\C#CC1=CC=CC=C1)/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H20O2S/c1-22(2,3)18-10-15-21(17-16-19-11-6-4-7-12-19)25(23,24)20-13-8-5-9-14-20/h4-9,11-15H,1-3H3/b21-15+