(2S)-5-methyl-5-phenylsulfanyl-hexan-2-ol

Systemtic Name: (2S)-5-methyl-5-phenylsulfanyl-hexan-2-ol Openeye Name: (2S)-5-methyl-5-phenylsulfanyl-hexan-2-ol CAS Name: (2S)-5-methyl-5-(phenylthio)-2-hexanol IUPAC Name: (2S)-5-methyl-5-phenylsulfanylhexan-2-ol Traditional Name: (2S)-5-methyl-5-(phenylthio)hexan-2-ol Formula: C13H20OS MolecularWeight: 224.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CCC(C)(C)SC1=CC=CC=C1)O

InChI

InChI=1S/C13H20OS/c1-11(14)9-10-13(2,3)15-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t11-/m0/s1