N-[3-(4-methylsulfanylphenoxy)propyl]octan-1-amine

Systemtic Name: N-[3-(4-methylsulfanylphenoxy)propyl]octan-1-amine Openeye Name: N-[3-(4-methylsulfanylphenoxy)propyl]octan-1-amine CAS Name: N-[3-[4-(methylthio)phenoxy]propyl]-1-octanamine IUPAC Name: N-[3-(4-methylsulfanylphenoxy)propyl]octan-1-amine Traditional Name: 3-[4-(methylthio)phenoxy]propyl-octyl-amine Formula: C18H31NOS MolecularWeight: 309.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCCOC1=CC=C(C=C1)SC

Isomeric SMILES

CCCCCCCCNCCCOC1=CC=C(C=C1)SC

InChI

InChI=1S/C18H31NOS/c1-3-4-5-6-7-8-14-19-15-9-16-20-17-10-12-18(21-2)13-11-17/h10-13,19H,3-9,14-16H2,1-2H3