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

Systemtic Name: 1,2,3,4,5,6-hexakis[(4-decylcyclohexyl)methylsulfanyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(4-decylcyclohexyl)methylsulfanyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[(4-decylcyclohexyl)methylthio]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(4-decylcyclohexyl)methylsulfanyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[(4-decylcyclohexyl)methylthio]benzene Formula: C108H198S6 MolecularWeight: 1689.11772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCCCC)SCC4CCC(CC4)CCCCCCCCCC)SCC5CCC(CC5)CCCCCCCCCC)SCC6CCC(CC6)CCCCCCCCCC)SCC7CCC(CC7)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCCCC)SCC4CCC(CC4)CCCCCCCCCC)SCC5CCC(CC5)CCCCCCCCCC)SCC6CCC(CC6)CCCCCCCCCC)SCC7CCC(CC7)CCCCCCCCCC

InChI

InChI=1S/C108H198S6/c1-7-13-19-25-31-37-43-49-55-91-61-73-97(74-62-91)85-109-103-104(110-86-98-75-63-92(64-76-98)56-50-44-38-32-26-20-14-8-2)106(112-88-100-79-67-94(68-80-100)58-52-46-40-34-28-22-16-10-4)108(114-90-102-83-71-96(72-84-102)60-54-48-42-36-30-24-18-12-6)107(113-89-101-81-69-95(70-82-101)59-53-47-41-35-29-23-17-11-5)105(103)111-87-99-77-65-93(66-78-99)57-51-45-39-33-27-21-15-9-3/h91-102H,7-90H2,1-6H3