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

Systemtic Name: 2,3,6,7,10,11-hexakis(nonadecylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(nonadecylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(nonadecylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(nonadecylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(nonadecylthio)triphenylene Formula: C132H240S6 MolecularWeight: 2019.708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C132H240S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-103-109-133-127-115-121-122(116-128(127)134-110-104-98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)124-118-130(136-112-106-100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)132(138-114-108-102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)120-126(124)125-119-131(137-113-107-101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)129(117-123(121)125)135-111-105-99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h115-120H,7-114H2,1-6H3