2-(4-octylsulfanylphenyl)-5-tridecoxy-pyridine

Systemtic Name: 2-(4-octylsulfanylphenyl)-5-tridecoxy-pyridine Openeye Name: 2-(4-octylsulfanylphenyl)-5-tridecoxy-pyridine CAS Name: 2-[4-(octylthio)phenyl]-5-tridecoxypyridine IUPAC Name: 2-(4-octylsulfanylphenyl)-5-tridecoxypyridine Traditional Name: 2-[4-(octylthio)phenyl]-5-tridecoxy-pyridine Formula: C32H51NOS MolecularWeight: 497.81844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)SCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)SCCCCCCCC

InChI

InChI=1S/C32H51NOS/c1-3-5-7-9-11-12-13-14-15-16-18-26-34-30-22-25-32(33-28-30)29-20-23-31(24-21-29)35-27-19-17-10-8-6-4-2/h20-25,28H,3-19,26-27H2,1-2H3