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

Systemtic Name: sodium 3-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propanoate Openeye Name: sodium 3-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propanoate CAS Name: sodium 3-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propanoate IUPAC Name: sodium 3-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propanoate Traditional Name: sodium 3-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propionate Formula: C13H15NaO5 MolecularWeight: 274.24497

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

Isomeric SMILES

CCOCC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

InChI

InChI=1S/C13H16O5.Na/c1-2-16-7-10-6-12-11(17-8-18-12)5-9(10)3-4-13(14)15;/h5-6H,2-4,7-8H2,1H3,(H,14,15);/q;+1/p-1