bis(hexadecylsulfanyl)methylbenzene

Systemtic Name: bis(hexadecylsulfanyl)methylbenzene Openeye Name: bis(hexadecylsulfanyl)methylbenzene CAS Name: bis(hexadecylthio)methylbenzene IUPAC Name: bis(hexadecylsulfanyl)methylbenzene Traditional Name: bis(cetylthio)methylbenzene Formula: C39H72S2 MolecularWeight: 605.11898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C1=CC=CC=C1)SCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C1=CC=CC=C1)SCCCCCCCCCCCCCCCC

InChI

InChI=1S/C39H72S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-40-39(38-34-30-29-31-35-38)41-37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,39H,3-28,32-33,36-37H2,1-2H3