3-[6-(2-ethylsulfanylethyl)-1,3-benzodioxol-5-yl]propanoic acid

Systemtic Name: 3-[6-(2-ethylsulfanylethyl)-1,3-benzodioxol-5-yl]propanoic acid Openeye Name: 3-[6-(2-ethylsulfanylethyl)-1,3-benzodioxol-5-yl]propanoic acid CAS Name: 3-[6-[2-(ethylthio)ethyl]-1,3-benzodioxol-5-yl]propanoic acid IUPAC Name: 3-[6-(2-ethylsulfanylethyl)-1,3-benzodioxol-5-yl]propanoic acid Traditional Name: 3-[6-[2-(ethylthio)ethyl]-1,3-benzodioxol-5-yl]propionic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1=CC2=C(C=C1CCC(=O)O)OCO2

Isomeric SMILES

CCSCCC1=CC2=C(C=C1CCC(=O)O)OCO2

InChI

InChI=1S/C14H18O4S/c1-2-19-6-5-11-8-13-12(17-9-18-13)7-10(11)3-4-14(15)16/h7-8H,2-6,9H2,1H3,(H,15,16)