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

Systemtic Name: 2,3,6,7,10-pentakis(hexadecylsulfanyl)-11-(2-methylbutylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10-pentakis(hexadecylsulfanyl)-11-(2-methylbutylsulfanyl)triphenylene CAS Name: 2,3,6,7,10-pentakis(hexadecylthio)-11-(2-methylbutylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(hexadecylsulfanyl)-11-(2-methylbutylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10-pentakis(cetylthio)-11-(2-methylbutylthio)triphenylene Formula: C103H182S6 MolecularWeight: 1612.93718

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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)CC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C103H182S6/c1-8-14-19-24-29-34-39-44-49-54-59-64-69-74-79-104-98-84-92-93-85-99(105-80-75-70-65-60-55-50-45-40-35-30-25-20-15-9-2)101(107-82-77-72-67-62-57-52-47-42-37-32-27-22-17-11-4)87-95(93)97-89-103(109-90-91(7)13-6)102(108-83-78-73-68-63-58-53-48-43-38-33-28-23-18-12-5)88-96(97)94(92)86-100(98)106-81-76-71-66-61-56-51-46-41-36-31-26-21-16-10-3/h84-89,91H,8-83,90H2,1-7H3