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

Systemtic Name: sodium 3-(6-methyl-1,3-benzodioxol-5-yl)propanoate Openeye Name: sodium 3-(6-methyl-1,3-benzodioxol-5-yl)propanoate CAS Name: sodium 3-(6-methyl-1,3-benzodioxol-5-yl)propanoate IUPAC Name: sodium 3-(6-methyl-1,3-benzodioxol-5-yl)propanoate Traditional Name: sodium 3-(6-methyl-1,3-benzodioxol-5-yl)propionate Formula: C11H11NaO4 MolecularWeight: 230.19241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

InChI

InChI=1S/C11H12O4.Na/c1-7-4-9-10(15-6-14-9)5-8(7)2-3-11(12)13;/h4-5H,2-3,6H2,1H3,(H,12,13);/q;+1/p-1