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

Systemtic Name: 1,2,3,4,5,6-hexakis(octylsulfonyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(octylsulfonyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(octylsulfonyl)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(octylsulfonyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(octylsulfonyl)benzene Formula: C54H102O12S6 MolecularWeight: 1135.77048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC

InChI

InChI=1S/C54H102O12S6/c1-7-13-19-25-31-37-43-67(55,56)49-50(68(57,58)44-38-32-26-20-14-8-2)52(70(61,62)46-40-34-28-22-16-10-4)54(72(65,66)48-42-36-30-24-18-12-6)53(71(63,64)47-41-35-29-23-17-11-5)51(49)69(59,60)45-39-33-27-21-15-9-3/h7-48H2,1-6H3