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1,2,4-tris(tridecylsulfanyl)benzene

Systemtic Name:	1,2,4-tris(tridecylsulfanyl)benzene
Openeye Name:	1,2,4-tris(tridecylsulfanyl)benzene
CAS Name:	1,2,4-tris(tridecylthio)benzene
IUPAC Name:	1,2,4-tris(tridecylsulfanyl)benzene
Traditional Name:	1,2,4-tris(tridecylthio)benzene
Formula:	C₄₅H₈₄S₃
MolecularWeight:	721.34346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=CC(=C(C=C1)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCSC1=CC(=C(C=C1)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC

InChI

InChI=1S/C45H84S3/c1-4-7-10-13-16-19-22-25-28-31-34-39-46-43-37-38-44(47-40-35-32-29-26-23-20-17-14-11-8-5-2)45(42-43)48-41-36-33-30-27-24-21-18-15-12-9-6-3/h37-38,42H,4-36,39-41H2,1-3H3

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