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

Systemtic Name: 1,2,3,4,5,6-hexakis[(4-dodecylcyclohexyl)methylsulfanyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(4-dodecylcyclohexyl)methylsulfanyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[(4-dodecylcyclohexyl)methylthio]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(4-dodecylcyclohexyl)methylsulfanyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[(4-laurylcyclohexyl)methylthio]benzene Formula: C120H222S6 MolecularWeight: 1857.43668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCCCCCC)SCC4CCC(CC4)CCCCCCCCCCCC)SCC5CCC(CC5)CCCCCCCCCCCC)SCC6CCC(CC6)CCCCCCCCCCCC)SCC7CCC(CC7)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1CCC(CC1)CSC2=C(C(=C(C(=C2SCC3CCC(CC3)CCCCCCCCCCCC)SCC4CCC(CC4)CCCCCCCCCCCC)SCC5CCC(CC5)CCCCCCCCCCCC)SCC6CCC(CC6)CCCCCCCCCCCC)SCC7CCC(CC7)CCCCCCCCCCCC

InChI

InChI=1S/C120H222S6/c1-7-13-19-25-31-37-43-49-55-61-67-103-73-85-109(86-74-103)97-121-115-116(122-98-110-87-75-104(76-88-110)68-62-56-50-44-38-32-26-20-14-8-2)118(124-100-112-91-79-106(80-92-112)70-64-58-52-46-40-34-28-22-16-10-4)120(126-102-114-95-83-108(84-96-114)72-66-60-54-48-42-36-30-24-18-12-6)119(125-101-113-93-81-107(82-94-113)71-65-59-53-47-41-35-29-23-17-11-5)117(115)123-99-111-89-77-105(78-90-111)69-63-57-51-45-39-33-27-21-15-9-3/h103-114H,7-102H2,1-6H3