3-(2-phenethyldodecylsulfanylmethyl)tridecylbenzene

Systemtic Name: 3-(2-phenethyldodecylsulfanylmethyl)tridecylbenzene Openeye Name: 3-(2-phenethyldodecylsulfanylmethyl)tridecylbenzene CAS Name: 3-[(2-phenethyldodecylthio)methyl]tridecylbenzene IUPAC Name: 3-(2-phenethyldodecylsulfanylmethyl)tridecylbenzene Traditional Name: 3-[(2-phenethyldodecylthio)methyl]tridecylbenzene Formula: C40H66S MolecularWeight: 579.01704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC1=CC=CC=C1)CSCC(CCCCCCCCCC)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC(CCC1=CC=CC=C1)CSCC(CCCCCCCCCC)CCC2=CC=CC=C2

InChI

InChI=1S/C40H66S/c1-3-5-7-9-11-13-15-19-29-39(33-31-37-25-21-17-22-26-37)35-41-36-40(34-32-38-27-23-18-24-28-38)30-20-16-14-12-10-8-6-4-2/h17-18,21-28,39-40H,3-16,19-20,29-36H2,1-2H3