(1E,6E)-1,7-bis(4-methylsulfonylphenyl)hepta-1,6-diene-3,5-dione

Systemtic Name: (1E,6E)-1,7-bis(4-methylsulfonylphenyl)hepta-1,6-diene-3,5-dione Openeye Name: (1E,6E)-1,7-bis(4-methylsulfonylphenyl)hepta-1,6-diene-3,5-dione CAS Name: (1E,6E)-1,7-bis(4-methylsulfonylphenyl)hepta-1,6-diene-3,5-dione IUPAC Name: (1E,6E)-1,7-bis(4-methylsulfonylphenyl)hepta-1,6-diene-3,5-dione Traditional Name: (1E,6E)-1,7-bis(4-mesylphenyl)hepta-1,6-diene-3,5-dione Formula: C21H20O6S2 MolecularWeight: 432.5099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H20O6S2/c1-28(24,25)20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(14-8-17)29(2,26)27/h3-14H,15H2,1-2H3/b9-3+,10-4+