1,2,3,4,5,6-hexakis[(4-undecylcyclohexyl)methylsulfanyl]benzene

Systemtic Name: 1,2,3,4,5,6-hexakis[(4-undecylcyclohexyl)methylsulfanyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(4-undecylcyclohexyl)methylsulfanyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[(4-undecylcyclohexyl)methylthio]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(4-undecylcyclohexyl)methylsulfanyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[(4-undecylcyclohexyl)methylthio]benzene Formula: C114H210S6 MolecularWeight: 1773.2772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCCCCC)SCC4CCC(CC4)CCCCCCCCCCC)SCC5CCC(CC5)CCCCCCCCCCC)SCC6CCC(CC6)CCCCCCCCCCC)SCC7CCC(CC7)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCCCCC)SCC4CCC(CC4)CCCCCCCCCCC)SCC5CCC(CC5)CCCCCCCCCCC)SCC6CCC(CC6)CCCCCCCCCCC)SCC7CCC(CC7)CCCCCCCCCCC

InChI

InChI=1S/C114H210S6/c1-7-13-19-25-31-37-43-49-55-61-97-67-79-103(80-68-97)91-115-109-110(116-92-104-81-69-98(70-82-104)62-56-50-44-38-32-26-20-14-8-2)112(118-94-106-85-73-100(74-86-106)64-58-52-46-40-34-28-22-16-10-4)114(120-96-108-89-77-102(78-90-108)66-60-54-48-42-36-30-24-18-12-6)113(119-95-107-87-75-101(76-88-107)65-59-53-47-41-35-29-23-17-11-5)111(109)117-93-105-83-71-99(72-84-105)63-57-51-45-39-33-27-21-15-9-3/h97-108H,7-96H2,1-6H3