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

Systemtic Name: 1,2,3,4,5,6-hexakis(hexylsulfonyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(hexylsulfonyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(hexylsulfonyl)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(hexylsulfonyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(hexylsulfonyl)benzene Formula: C42H78O12S6 MolecularWeight: 967.45152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC

Isomeric SMILES

CCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC

InChI

InChI=1S/C42H78O12S6/c1-7-13-19-25-31-55(43,44)37-38(56(45,46)32-26-20-14-8-2)40(58(49,50)34-28-22-16-10-4)42(60(53,54)36-30-24-18-12-6)41(59(51,52)35-29-23-17-11-5)39(37)57(47,48)33-27-21-15-9-3/h7-36H2,1-6H3