1-[(E)-1,4-diphenylnon-3-en-1-yn-3-yl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[(E)-1,4-diphenylnon-3-en-1-yn-3-yl]sulfonyl-4-methyl-benzene Openeye Name: 1-methyl-4-[(E)-2-phenyl-1-(2-phenylethynyl)hept-1-enyl]sulfonyl-benzene CAS Name: 1-[(E)-1,4-diphenylnon-3-en-1-yn-3-yl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(E)-1,4-diphenylnon-3-en-1-yn-3-yl]sulfonyl-4-methylbenzene Traditional Name: 1-methyl-4-[(E)-2-phenyl-1-(2-phenylethynyl)hept-1-enyl]sulfonyl-benzene Formula: C28H28O2S MolecularWeight: 428.58572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=C(C#CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC/C(=C(/C#CC1=CC=CC=C1)\S(=O)(=O)C2=CC=C(C=C2)C)/C3=CC=CC=C3

InChI

InChI=1S/C28H28O2S/c1-3-4-7-16-27(25-14-10-6-11-15-25)28(22-19-24-12-8-5-9-13-24)31(29,30)26-20-17-23(2)18-21-26/h5-6,8-15,17-18,20-21H,3-4,7,16H2,1-2H3/b28-27+