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

Systemtic Name: 1,2,3,4,5,6-hexakis[(4-nonylcyclohexyl)methylsulfanyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(4-nonylcyclohexyl)methylsulfanyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[(4-nonylcyclohexyl)methylthio]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(4-nonylcyclohexyl)methylsulfanyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[(4-nonylcyclohexyl)methylthio]benzene Formula: C102H186S6 MolecularWeight: 1604.95824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCCC)SCC4CCC(CC4)CCCCCCCCC)SCC5CCC(CC5)CCCCCCCCC)SCC6CCC(CC6)CCCCCCCCC)SCC7CCC(CC7)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCCC)SCC4CCC(CC4)CCCCCCCCC)SCC5CCC(CC5)CCCCCCCCC)SCC6CCC(CC6)CCCCCCCCC)SCC7CCC(CC7)CCCCCCCCC

InChI

InChI=1S/C102H186S6/c1-7-13-19-25-31-37-43-49-85-55-67-91(68-56-85)79-103-97-98(104-80-92-69-57-86(58-70-92)50-44-38-32-26-20-14-8-2)100(106-82-94-73-61-88(62-74-94)52-46-40-34-28-22-16-10-4)102(108-84-96-77-65-90(66-78-96)54-48-42-36-30-24-18-12-6)101(107-83-95-75-63-89(64-76-95)53-47-41-35-29-23-17-11-5)99(97)105-81-93-71-59-87(60-72-93)51-45-39-33-27-21-15-9-3/h85-96H,7-84H2,1-6H3