1-(4-methylsulfanylphenoxy)-3-(octylamino)propan-2-ol

Systemtic Name: 1-(4-methylsulfanylphenoxy)-3-(octylamino)propan-2-ol Openeye Name: 1-(4-methylsulfanylphenoxy)-3-(octylamino)propan-2-ol CAS Name: 1-[4-(methylthio)phenoxy]-3-(octylamino)-2-propanol IUPAC Name: 1-(4-methylsulfanylphenoxy)-3-(octylamino)propan-2-ol Traditional Name: 1-[4-(methylthio)phenoxy]-3-(octylamino)propan-2-ol Formula: C18H31NO2S MolecularWeight: 325.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(COC1=CC=C(C=C1)SC)O

Isomeric SMILES

CCCCCCCCNCC(COC1=CC=C(C=C1)SC)O

InChI

InChI=1S/C18H31NO2S/c1-3-4-5-6-7-8-13-19-14-16(20)15-21-17-9-11-18(22-2)12-10-17/h9-12,16,19-20H,3-8,13-15H2,1-2H3