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

Systemtic Name: 1,2,3,4,5,6-hexakis[(4-pentylcyclohexyl)methylsulfanyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(4-pentylcyclohexyl)methylsulfanyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[(4-pentylcyclohexyl)methylthio]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(4-pentylcyclohexyl)methylsulfanyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[(4-amylcyclohexyl)methylthio]benzene Formula: C78H138S6 MolecularWeight: 1268.32032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCC)SCC4CCC(CC4)CCCCC)SCC5CCC(CC5)CCCCC)SCC6CCC(CC6)CCCCC)SCC7CCC(CC7)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCC)SCC4CCC(CC4)CCCCC)SCC5CCC(CC5)CCCCC)SCC6CCC(CC6)CCCCC)SCC7CCC(CC7)CCCCC

InChI

InChI=1S/C78H138S6/c1-7-13-19-25-61-31-43-67(44-32-61)55-79-73-74(80-56-68-45-33-62(34-46-68)26-20-14-8-2)76(82-58-70-49-37-64(38-50-70)28-22-16-10-4)78(84-60-72-53-41-66(42-54-72)30-24-18-12-6)77(83-59-71-51-39-65(40-52-71)29-23-17-11-5)75(73)81-57-69-47-35-63(36-48-69)27-21-15-9-3/h61-72H,7-60H2,1-6H3