(3S,5R)-1-phenylsulfanyloct-7-yne-3,5-diol

Systemtic Name: (3S,5R)-1-phenylsulfanyloct-7-yne-3,5-diol Openeye Name: (3S,5R)-1-phenylsulfanyloct-7-yne-3,5-diol CAS Name: (3S,5R)-1-(phenylthio)-7-octyne-3,5-diol IUPAC Name: (3S,5R)-1-phenylsulfanyloct-7-yne-3,5-diol Traditional Name: (3S,5R)-1-(phenylthio)oct-7-yne-3,5-diol Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CC(CCSC1=CC=CC=C1)O)O

Isomeric SMILES

C#CC[C@H](C[C@@H](CCSC1=CC=CC=C1)O)O

InChI

InChI=1S/C14H18O2S/c1-2-6-12(15)11-13(16)9-10-17-14-7-4-3-5-8-14/h1,3-5,7-8,12-13,15-16H,6,9-11H2/t12-,13-/m1/s1