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

Systemtic Name: 1,2,3,4,5,6-hexakis(undecylsulfonyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(undecylsulfonyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(undecylsulfonyl)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(undecylsulfonyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(undecylsulfonyl)benzene Formula: C72H138O12S6 MolecularWeight: 1388.24892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC

InChI

InChI=1S/C72H138O12S6/c1-7-13-19-25-31-37-43-49-55-61-85(73,74)67-68(86(75,76)62-56-50-44-38-32-26-20-14-8-2)70(88(79,80)64-58-52-46-40-34-28-22-16-10-4)72(90(83,84)66-60-54-48-42-36-30-24-18-12-6)71(89(81,82)65-59-53-47-41-35-29-23-17-11-5)69(67)87(77,78)63-57-51-45-39-33-27-21-15-9-3/h7-66H2,1-6H3