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

Systemtic Name: 1,2,3,4,5,6-hexakis(heptylsulfonyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(heptylsulfonyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(heptylsulfonyl)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(heptylsulfonyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(heptylsulfonyl)benzene Formula: C48H90O12S6 MolecularWeight: 1051.611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC

Isomeric SMILES

CCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC

InChI

InChI=1S/C48H90O12S6/c1-7-13-19-25-31-37-61(49,50)43-44(62(51,52)38-32-26-20-14-8-2)46(64(55,56)40-34-28-22-16-10-4)48(66(59,60)42-36-30-24-18-12-6)47(65(57,58)41-35-29-23-17-11-5)45(43)63(53,54)39-33-27-21-15-9-3/h7-42H2,1-6H3