(2S,3R,4E)-1-phenylsulfanylhepta-4,6-diene-2,3-diol

Systemtic Name: (2S,3R,4E)-1-phenylsulfanylhepta-4,6-diene-2,3-diol Openeye Name: (2S,3R,4E)-1-phenylsulfanylhepta-4,6-diene-2,3-diol CAS Name: (2S,3R,4E)-1-(phenylthio)hepta-4,6-diene-2,3-diol IUPAC Name: (2S,3R,4E)-1-phenylsulfanylhepta-4,6-diene-2,3-diol Traditional Name: (2S,3R,4E)-1-(phenylthio)hepta-4,6-diene-2,3-diol Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=CC(C(CSC1=CC=CC=C1)O)O

Isomeric SMILES

C=C/C=C/[C@H]([C@@H](CSC1=CC=CC=C1)O)O

InChI

InChI=1S/C13H16O2S/c1-2-3-9-12(14)13(15)10-16-11-7-5-4-6-8-11/h2-9,12-15H,1,10H2/b9-3+/t12-,13-/m1/s1