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

Systemtic Name: 2,3,6,7,10-pentakis(hexadecylsulfanyl)-11-(2-methylhexylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10-pentakis(hexadecylsulfanyl)-11-(2-methylhexylsulfanyl)triphenylene CAS Name: 2,3,6,7,10-pentakis(hexadecylthio)-11-(2-methylhexylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(hexadecylsulfanyl)-11-(2-methylhexylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10-pentakis(cetylthio)-11-(2-methylhexylthio)triphenylene Formula: C105H186S6 MolecularWeight: 1640.99034

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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)SCC(C)CCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C105H186S6/c1-8-14-20-25-30-35-40-45-50-55-60-65-70-75-81-106-100-86-94-95-87-101(107-82-76-71-66-61-56-51-46-41-36-31-26-21-15-9-2)103(109-84-78-73-68-63-58-53-48-43-38-33-28-23-17-11-4)89-97(95)99-91-105(111-92-93(7)80-19-13-6)104(110-85-79-74-69-64-59-54-49-44-39-34-29-24-18-12-5)90-98(99)96(94)88-102(100)108-83-77-72-67-62-57-52-47-42-37-32-27-22-16-10-3/h86-91,93H,8-85,92H2,1-7H3