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

Systemtic Name: 1,2,3,4,5,6-hexakis[(4-heptylcyclohexyl)methylsulfanyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(4-heptylcyclohexyl)methylsulfanyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[(4-heptylcyclohexyl)methylthio]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(4-heptylcyclohexyl)methylsulfanyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[(4-heptylcyclohexyl)methylthio]benzene Formula: C90H162S6 MolecularWeight: 1436.63928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCC)SCC4CCC(CC4)CCCCCCC)SCC5CCC(CC5)CCCCCCC)SCC6CCC(CC6)CCCCCCC)SCC7CCC(CC7)CCCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCC)SCC4CCC(CC4)CCCCCCC)SCC5CCC(CC5)CCCCCCC)SCC6CCC(CC6)CCCCCCC)SCC7CCC(CC7)CCCCCCC

InChI

InChI=1S/C90H162S6/c1-7-13-19-25-31-37-73-43-55-79(56-44-73)67-91-85-86(92-68-80-57-45-74(46-58-80)38-32-26-20-14-8-2)88(94-70-82-61-49-76(50-62-82)40-34-28-22-16-10-4)90(96-72-84-65-53-78(54-66-84)42-36-30-24-18-12-6)89(95-71-83-63-51-77(52-64-83)41-35-29-23-17-11-5)87(85)93-69-81-59-47-75(48-60-81)39-33-27-21-15-9-3/h73-84H,7-72H2,1-6H3