2,3,6,7,10,11-hexakis(octadecylsulfanyl)triphenylene

Systemtic Name: 2,3,6,7,10,11-hexakis(octadecylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(octadecylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(octadecylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(octadecylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(stearylthio)triphenylene Formula: C126H228S6 MolecularWeight: 1935.54852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C126H228S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-103-127-121-109-115-116(110-122(121)128-104-98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)118-112-124(130-106-100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)126(132-108-102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)114-120(118)119-113-125(131-107-101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)123(111-117(115)119)129-105-99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h109-114H,7-108H2,1-6H3