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

Systemtic Name: 1,2,3,4,5,6-hexakis(tetradecylsulfonyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(tetradecylsulfonyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(tetradecylsulfonyl)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(tetradecylsulfonyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(myristylsulfonyl)benzene Formula: C90H174O12S6 MolecularWeight: 1640.72736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCC

InChI

InChI=1S/C90H174O12S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-103(91,92)85-86(104(93,94)80-74-68-62-56-50-44-38-32-26-20-14-8-2)88(106(97,98)82-76-70-64-58-52-46-40-34-28-22-16-10-4)90(108(101,102)84-78-72-66-60-54-48-42-36-30-24-18-12-6)89(107(99,100)83-77-71-65-59-53-47-41-35-29-23-17-11-5)87(85)105(95,96)81-75-69-63-57-51-45-39-33-27-21-15-9-3/h7-84H2,1-6H3