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

Systemtic Name: 3-[3-(3-methyl-2-oxidanyl-phenyl)propylsulfanyl]propane-1,2-diol Openeye Name: 3-[3-(2-hydroxy-3-methyl-phenyl)propylsulfanyl]propane-1,2-diol CAS Name: 3-[3-(2-hydroxy-3-methylphenyl)propylthio]propane-1,2-diol IUPAC Name: 3-[3-(2-hydroxy-3-methylphenyl)propylsulfanyl]propane-1,2-diol Traditional Name: 3-[3-(2-hydroxy-3-methyl-phenyl)propylthio]propane-1,2-diol Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-10-4-2-5-11(13(10)16)6-3-7-17-9-12(15)8-14/h2,4-5,12,14-16H,3,6-9H2,1H3