14-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyltetradecan-1-ol

Systemtic Name: 14-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyltetradecan-1-ol Openeye Name: 14-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyltetradecan-1-ol CAS Name: 14-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-tetradecanol IUPAC Name: 14-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyltetradecan-1-ol Traditional Name: 14-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]tetradecan-1-ol Formula: C112H200OS6 MolecularWeight: 1755.1758

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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)SCCCCCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C112H200OS6/c1-6-11-16-21-26-31-36-41-47-54-61-68-75-82-89-114-107-95-101-102-96-108(115-90-83-76-69-62-55-48-42-37-32-27-22-17-12-7-2)110(117-92-85-78-71-64-57-50-44-39-34-29-24-19-14-9-4)98-104(102)106-100-112(119-94-87-80-73-66-59-52-46-53-60-67-74-81-88-113)111(118-93-86-79-72-65-58-51-45-40-35-30-25-20-15-10-5)99-105(106)103(101)97-109(107)116-91-84-77-70-63-56-49-43-38-33-28-23-18-13-8-3/h95-100,113H,6-94H2,1-5H3