2-[(phenylmethylsulfanyl)methyl]-2-propyl-propane-1,3-diol

Systemtic Name: 2-[(phenylmethylsulfanyl)methyl]-2-propyl-propane-1,3-diol Openeye Name: 2-(benzylsulfanylmethyl)-2-propyl-propane-1,3-diol CAS Name: 2-[(phenylmethylthio)methyl]-2-propylpropane-1,3-diol IUPAC Name: 2-(benzylsulfanylmethyl)-2-propylpropane-1,3-diol Traditional Name: 2-[(benzylthio)methyl]-2-propyl-propane-1,3-diol Formula: C14H22O2S MolecularWeight: 254.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CO)(CO)CSCC1=CC=CC=C1

Isomeric SMILES

CCCC(CO)(CO)CSCC1=CC=CC=C1

InChI

InChI=1S/C14H22O2S/c1-2-8-14(10-15,11-16)12-17-9-13-6-4-3-5-7-13/h3-7,15-16H,2,8-12H2,1H3