2,3,6,7,10,11-hexakis(tetradecylsulfanyl)triphenylene

Systemtic Name: 2,3,6,7,10,11-hexakis(tetradecylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(tetradecylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(tetradecylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(tetradecylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(myristylthio)triphenylene Formula: C102H180S6 MolecularWeight: 1598.9106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCC)SCCCCCCCCCCCCCC)SCCCCCCCCCCCCCC)SCCCCCCCCCCCCCC)SCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCC)SCCCCCCCCCCCCCC)SCCCCCCCCCCCCCC)SCCCCCCCCCCCCCC)SCCCCCCCCCCCCCC

InChI

InChI=1S/C102H180S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-103-97-85-91-92(86-98(97)104-80-74-68-62-56-50-44-38-32-26-20-14-8-2)94-88-100(106-82-76-70-64-58-52-46-40-34-28-22-16-10-4)102(108-84-78-72-66-60-54-48-42-36-30-24-18-12-6)90-96(94)95-89-101(107-83-77-71-65-59-53-47-41-35-29-23-17-11-5)99(87-93(91)95)105-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h85-90H,7-84H2,1-6H3