[(Z)-1-(phenylsulfonyl)oct-1-en-3-yn-2-yl]benzene

Systemtic Name: [(Z)-1-(phenylsulfonyl)oct-1-en-3-yn-2-yl]benzene Openeye Name: [(1Z)-1-(benzenesulfonylmethylene)hept-2-ynyl]benzene CAS Name: [(Z)-1-(benzenesulfonyl)oct-1-en-3-yn-2-yl]benzene IUPAC Name: [(Z)-1-(benzenesulfonyl)oct-1-en-3-yn-2-yl]benzene Traditional Name: [(1Z)-1-(besylmethylene)hept-2-ynyl]benzene Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=CS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H20O2S/c1-2-3-4-7-14-19(18-12-8-5-9-13-18)17-23(21,22)20-15-10-6-11-16-20/h5-6,8-13,15-17H,2-4H2,1H3/b19-17+