sodium 3-[6-(2-ethylsulfanylethyl)-1,3-benzodioxol-5-yl]propanoate

Systemtic Name: sodium 3-[6-(2-ethylsulfanylethyl)-1,3-benzodioxol-5-yl]propanoate Openeye Name: sodium 3-[6-(2-ethylsulfanylethyl)-1,3-benzodioxol-5-yl]propanoate CAS Name: sodium 3-[6-[2-(ethylthio)ethyl]-1,3-benzodioxol-5-yl]propanoate IUPAC Name: sodium 3-[6-(2-ethylsulfanylethyl)-1,3-benzodioxol-5-yl]propanoate Traditional Name: sodium 3-[6-[2-(ethylthio)ethyl]-1,3-benzodioxol-5-yl]propionate Formula: C14H17NaO4S MolecularWeight: 304.33715

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

Isomeric SMILES

CCSCCC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

InChI

InChI=1S/C14H18O4S.Na/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);/q;+1/p-1