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

Systemtic Name: 2,3,6,7,10,11-hexakis(icosylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(icosylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(eicosylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(icosylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(arachylthio)triphenylene Formula: C138H252S6 MolecularWeight: 2103.86748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C138H252S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-103-109-115-139-133-121-127-128(122-134(133)140-116-110-104-98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)130-124-136(142-118-112-106-100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)138(144-120-114-108-102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)126-132(130)131-125-137(143-119-113-107-101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)135(123-129(127)131)141-117-111-105-99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h121-126H,7-120H2,1-6H3