3-(4-butan-2-ylsulfanylphenoxy)propane-1,2-diol

Systemtic Name: 3-(4-butan-2-ylsulfanylphenoxy)propane-1,2-diol Openeye Name: 3-(4-sec-butylsulfanylphenoxy)propane-1,2-diol CAS Name: 3-[4-(butan-2-ylthio)phenoxy]propane-1,2-diol IUPAC Name: 3-(4-butan-2-ylsulfanylphenoxy)propane-1,2-diol Traditional Name: 3-[4-(sec-butylthio)phenoxy]propane-1,2-diol Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=CC=C(C=C1)OCC(CO)O

Isomeric SMILES

CCC(C)SC1=CC=C(C=C1)OCC(CO)O

InChI

InChI=1S/C13H20O3S/c1-3-10(2)17-13-6-4-12(5-7-13)16-9-11(15)8-14/h4-7,10-11,14-15H,3,8-9H2,1-2H3