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

Systemtic Name: 1,2,3,4,5,6-hexakis(pentadecylsulfonyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(pentadecylsulfonyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(pentadecylsulfonyl)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(pentadecylsulfonyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(pentadecylsulfonyl)benzene Formula: C96H186O12S6 MolecularWeight: 1724.88684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C96H186O12S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-109(97,98)91-92(110(99,100)86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)94(112(103,104)88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)96(114(107,108)90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)95(113(105,106)89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)93(91)111(101,102)87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h7-90H2,1-6H3