3-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanethioate

Systemtic Name: 3-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanethioate Openeye Name: 3-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanethioate CAS Name: 3-[(3,4,5-trimethoxyphenyl)methylthio]propanethioate IUPAC Name: 3-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanethioate Traditional Name: 3-[(3,4,5-trimethoxybenzyl)thio]thiopropionate Formula: C13H17O4S2- MolecularWeight: 301.40168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CSCCC(=S)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CSCCC(=S)[O-]

InChI

InChI=1S/C13H18O4S2/c1-15-10-6-9(8-19-5-4-12(14)18)7-11(16-2)13(10)17-3/h6-7H,4-5,8H2,1-3H3,(H,14,18)/p-1