2-(3-ethylsulfanyl-2-oxidanyl-3-phenyl-propoxy)ethanoate

Systemtic Name: 2-(3-ethylsulfanyl-2-oxidanyl-3-phenyl-propoxy)ethanoate Openeye Name: 2-(3-ethylsulfanyl-2-hydroxy-3-phenyl-propoxy)acetate CAS Name: 2-[3-(ethylthio)-2-hydroxy-3-phenylpropoxy]acetate IUPAC Name: 2-(3-ethylsulfanyl-2-hydroxy-3-phenylpropoxy)acetate Traditional Name: 2-[3-(ethylthio)-2-hydroxy-3-phenyl-propoxy]acetate Formula: C13H17O4S- MolecularWeight: 269.33668

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC=CC=C1)C(COCC(=O)[O-])O

Isomeric SMILES

CCSC(C1=CC=CC=C1)C(COCC(=O)[O-])O

InChI

InChI=1S/C13H18O4S/c1-2-18-13(10-6-4-3-5-7-10)11(14)8-17-9-12(15)16/h3-7,11,13-14H,2,8-9H2,1H3,(H,15,16)/p-1