1-methyl-4-[(1E,7E)-7-(4-methylphenyl)sulfonyl-1,8-diphenyl-octa-1,7-dien-3,5-diyn-2-yl]sulfonyl-benzene

Systemtic Name: 1-methyl-4-[(1E,7E)-7-(4-methylphenyl)sulfonyl-1,8-diphenyl-octa-1,7-dien-3,5-diyn-2-yl]sulfonyl-benzene Openeye Name: 1-[(E,1E)-1-benzylidene-7-phenyl-6-(p-tolylsulfonyl)hept-6-en-2,4-diynyl]sulfonyl-4-methyl-benzene CAS Name: 1-methyl-4-[(1E,7E)-7-(4-methylphenyl)sulfonyl-1,8-diphenylocta-1,7-dien-3,5-diyn-2-yl]sulfonylbenzene IUPAC Name: 1-methyl-4-[(1E,7E)-7-(4-methylphenyl)sulfonyl-1,8-diphenylocta-1,7-dien-3,5-diyn-2-yl]sulfonylbenzene Traditional Name: 1-[(E,1E)-1-benzal-7-phenyl-6-tosyl-hept-6-en-2,4-diynyl]sulfonyl-4-methyl-benzene Formula: C34H26O4S2 MolecularWeight: 562.69784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=CC=C2)C#CC#CC(=CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=CC=C2)/C#CC#C/C(=C\C3=CC=CC=C3)/S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C34H26O4S2/c1-27-17-21-31(22-18-27)39(35,36)33(25-29-11-5-3-6-12-29)15-9-10-16-34(26-30-13-7-4-8-14-30)40(37,38)32-23-19-28(2)20-24-32/h3-8,11-14,17-26H,1-2H3/b33-25+,34-26+