4-methyl-4-(phenylmethylsulfanyl)pentane-1,2-diol

Systemtic Name: 4-methyl-4-(phenylmethylsulfanyl)pentane-1,2-diol Openeye Name: 4-benzylsulfanyl-4-methyl-pentane-1,2-diol CAS Name: 4-methyl-4-(phenylmethylthio)pentane-1,2-diol IUPAC Name: 4-benzylsulfanyl-4-methylpentane-1,2-diol Traditional Name: 4-(benzylthio)-4-methyl-pentane-1,2-diol Formula: C13H20O2S MolecularWeight: 240.3617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CO)O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)(CC(CO)O)SCC1=CC=CC=C1

InChI

InChI=1S/C13H20O2S/c1-13(2,8-12(15)9-14)16-10-11-6-4-3-5-7-11/h3-7,12,14-15H,8-10H2,1-2H3