5-(phenylmethylsulfanyl)pentane-1,2-diol

Systemtic Name: 5-(phenylmethylsulfanyl)pentane-1,2-diol Openeye Name: 5-benzylsulfanylpentane-1,2-diol CAS Name: 5-(phenylmethylthio)pentane-1,2-diol IUPAC Name: 5-benzylsulfanylpentane-1,2-diol Traditional Name: 5-(benzylthio)pentane-1,2-diol Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O2S/c13-9-12(14)7-4-8-15-10-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2