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

Systemtic Name: 1,2,3,4,5,6-hexakis[(4-octylcyclohexyl)methylsulfanyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(4-octylcyclohexyl)methylsulfanyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[(4-octylcyclohexyl)methylthio]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(4-octylcyclohexyl)methylsulfanyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[(4-octylcyclohexyl)methylthio]benzene Formula: C96H174S6 MolecularWeight: 1520.79876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCC)SCC4CCC(CC4)CCCCCCCC)SCC5CCC(CC5)CCCCCCCC)SCC6CCC(CC6)CCCCCCCC)SCC7CCC(CC7)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCC)SCC4CCC(CC4)CCCCCCCC)SCC5CCC(CC5)CCCCCCCC)SCC6CCC(CC6)CCCCCCCC)SCC7CCC(CC7)CCCCCCCC

InChI

InChI=1S/C96H174S6/c1-7-13-19-25-31-37-43-79-49-61-85(62-50-79)73-97-91-92(98-74-86-63-51-80(52-64-86)44-38-32-26-20-14-8-2)94(100-76-88-67-55-82(56-68-88)46-40-34-28-22-16-10-4)96(102-78-90-71-59-84(60-72-90)48-42-36-30-24-18-12-6)95(101-77-89-69-57-83(58-70-89)47-41-35-29-23-17-11-5)93(91)99-75-87-65-53-81(54-66-87)45-39-33-27-21-15-9-3/h79-90H,7-78H2,1-6H3