1,2,3,4,5,6-hexakis(pentadecylsulfanyl)benzene

Systemtic Name: 1,2,3,4,5,6-hexakis(pentadecylsulfanyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(pentadecylsulfanyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(pentadecylthio)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(pentadecylsulfanyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(pentadecylthio)benzene Formula: C96H186S6 MolecularWeight: 1532.89404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1=C(C(=C(C(=C1SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCSC1=C(C(=C(C(=C1SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC

InChI

InChI=1S/C96H186S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-97-91-92(98-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)94(100-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)96(102-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)95(101-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)93(91)99-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h7-90H2,1-6H3