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

Systemtic Name: 2,3,6,7,10,11-hexakis(hexadecylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(hexadecylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(hexadecylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(hexadecylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(cetylthio)triphenylene Formula: C114H204S6 MolecularWeight: 1767.22956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

InChI

InChI=1S/C114H204S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-115-109-97-103-104(98-110(109)116-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)106-100-112(118-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)114(120-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)102-108(106)107-101-113(119-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)111(99-105(103)107)117-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h97-102H,7-96H2,1-6H3