1,2,3,4,5,6-hexakis(tridecylsulfonyl)benzene

Systemtic Name: 1,2,3,4,5,6-hexakis(tridecylsulfonyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(tridecylsulfonyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(tridecylsulfonyl)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(tridecylsulfonyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(tridecylsulfonyl)benzene Formula: C84H162O12S6 MolecularWeight: 1556.56788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C84H162O12S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-97(85,86)79-80(98(87,88)74-68-62-56-50-44-38-32-26-20-14-8-2)82(100(91,92)76-70-64-58-52-46-40-34-28-22-16-10-4)84(102(95,96)78-72-66-60-54-48-42-36-30-24-18-12-6)83(101(93,94)77-71-65-59-53-47-41-35-29-23-17-11-5)81(79)99(89,90)75-69-63-57-51-45-39-33-27-21-15-9-3/h7-78H2,1-6H3