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

Systemtic Name: 1,2,3,4,5,6-hexakis(nonylsulfonyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(nonylsulfonyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(nonylsulfonyl)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(nonylsulfonyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(nonylsulfonyl)benzene Formula: C60H114O12S6 MolecularWeight: 1219.92996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC

InChI

InChI=1S/C60H114O12S6/c1-7-13-19-25-31-37-43-49-73(61,62)55-56(74(63,64)50-44-38-32-26-20-14-8-2)58(76(67,68)52-46-40-34-28-22-16-10-4)60(78(71,72)54-48-42-36-30-24-18-12-6)59(77(69,70)53-47-41-35-29-23-17-11-5)57(55)75(65,66)51-45-39-33-27-21-15-9-3/h7-54H2,1-6H3