19-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylnonadecan-1-ol

Systemtic Name: 19-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylnonadecan-1-ol Openeye Name: 19-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylnonadecan-1-ol CAS Name: 19-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-nonadecanol IUPAC Name: 19-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylnonadecan-1-ol Traditional Name: 19-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]nonadecan-1-ol Formula: C117H210OS6 MolecularWeight: 1825.3087

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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)SCCCCCCCCCCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C117H210OS6/c1-6-11-16-21-26-31-36-41-52-59-66-73-80-87-94-119-112-100-106-107-101-113(120-95-88-81-74-67-60-53-42-37-32-27-22-17-12-7-2)115(122-97-90-83-76-69-62-55-44-39-34-29-24-19-14-9-4)103-109(107)111-105-117(124-99-92-85-78-71-64-57-50-48-46-47-49-51-58-65-72-79-86-93-118)116(123-98-91-84-77-70-63-56-45-40-35-30-25-20-15-10-5)104-110(111)108(106)102-114(112)121-96-89-82-75-68-61-54-43-38-33-28-23-18-13-8-3/h100-105,118H,6-99H2,1-5H3