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2-dodecylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine

2-dodecylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine

Systemtic Name:2-dodecylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine
Openeye Name:2-dodecylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine
CAS Name:2-(dodecylthio)-5-[4-(6-methyloctoxy)phenyl]pyrimidine
IUPAC Name:2-dodecylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine
Traditional Name:2-(laurylthio)-5-[4-(6-methyloctoxy)phenyl]pyrimidine
Formula: C31H50N2OS
MolecularWeight: 498.8065
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC


Isomeric SMILES

CCCCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC


InChI

InChI=1S/C31H50N2OS/c1-4-6-7-8-9-10-11-12-13-17-24-35-31-32-25-29(26-33-31)28-19-21-30(22-20-28)34-23-16-14-15-18-27(3)5-2/h19-22,25-27H,4-18,23-24H2,1-3H3


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