3-[1-(3-methyl-2-oxidanyl-phenyl)propan-2-ylsulfanyl]propane-1,2-diol

Systemtic Name: 3-[1-(3-methyl-2-oxidanyl-phenyl)propan-2-ylsulfanyl]propane-1,2-diol Openeye Name: 3-[2-(2-hydroxy-3-methyl-phenyl)-1-methyl-ethyl]sulfanylpropane-1,2-diol CAS Name: 3-[1-(2-hydroxy-3-methylphenyl)propan-2-ylthio]propane-1,2-diol IUPAC Name: 3-[1-(2-hydroxy-3-methylphenyl)propan-2-ylsulfanyl]propane-1,2-diol Traditional Name: 3-[[2-(2-hydroxy-3-methyl-phenyl)-1-methyl-ethyl]thio]propane-1,2-diol Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC(C)SCC(CO)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)CC(C)SCC(CO)O)O

InChI

InChI=1S/C13H20O3S/c1-9-4-3-5-11(13(9)16)6-10(2)17-8-12(15)7-14/h3-5,10,12,14-16H,6-8H2,1-2H3