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

Systemtic Name: 2,3,6,7,10-pentakis(hexadecylsulfanyl)-11-(2-methylpentylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10-pentakis(hexadecylsulfanyl)-11-(2-methylpentylsulfanyl)triphenylene CAS Name: 2,3,6,7,10-pentakis(hexadecylthio)-11-(2-methylpentylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(hexadecylsulfanyl)-11-(2-methylpentylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10-pentakis(cetylthio)-11-(2-methylpentylthio)triphenylene Formula: C104H184S6 MolecularWeight: 1626.96376

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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)CCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C104H184S6/c1-8-14-19-24-29-34-39-44-49-54-59-64-69-74-80-105-99-85-93-94-86-100(106-81-75-70-65-60-55-50-45-40-35-30-25-20-15-9-2)102(108-83-77-72-67-62-57-52-47-42-37-32-27-22-17-11-4)88-96(94)98-90-104(110-91-92(7)79-13-6)103(109-84-78-73-68-63-58-53-48-43-38-33-28-23-18-12-5)89-97(98)95(93)87-101(99)107-82-76-71-66-61-56-51-46-41-36-31-26-21-16-10-3/h85-90,92H,8-84,91H2,1-7H3