sodium 3-(6-ethyl-1,3-benzodioxol-5-yl)propanoate

Systemtic Name: sodium 3-(6-ethyl-1,3-benzodioxol-5-yl)propanoate Openeye Name: sodium 3-(6-ethyl-1,3-benzodioxol-5-yl)propanoate CAS Name: sodium 3-(6-ethyl-1,3-benzodioxol-5-yl)propanoate IUPAC Name: sodium 3-(6-ethyl-1,3-benzodioxol-5-yl)propanoate Traditional Name: sodium 3-(6-ethyl-1,3-benzodioxol-5-yl)propionate Formula: C12H13NaO4 MolecularWeight: 244.21899

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

Isomeric SMILES

CCC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

InChI

InChI=1S/C12H14O4.Na/c1-2-8-5-10-11(16-7-15-10)6-9(8)3-4-12(13)14;/h5-6H,2-4,7H2,1H3,(H,13,14);/q;+1/p-1