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4-(3,4,5-trimethoxyphenyl)sulfanylbutanoate

4-(3,4,5-trimethoxyphenyl)sulfanylbutanoate

Systemtic Name:4-(3,4,5-trimethoxyphenyl)sulfanylbutanoate
Openeye Name:4-(3,4,5-trimethoxyphenyl)sulfanylbutanoate
CAS Name:4-[(3,4,5-trimethoxyphenyl)thio]butanoate
IUPAC Name:4-(3,4,5-trimethoxyphenyl)sulfanylbutanoate
Traditional Name:4-[(3,4,5-trimethoxyphenyl)thio]butyrate
Formula: C13H17O5S-
MolecularWeight: 285.33608
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SCCCC(=O)[O-]


Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SCCCC(=O)[O-]


InChI

InChI=1S/C13H18O5S/c1-16-10-7-9(19-6-4-5-12(14)15)8-11(17-2)13(10)18-3/h7-8H,4-6H2,1-3H3,(H,14,15)/p-1


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