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

Systemtic Name: sodium 3-(6-propyl-1,3-benzodioxol-5-yl)propanoate Openeye Name: sodium 3-(6-propyl-1,3-benzodioxol-5-yl)propanoate CAS Name: sodium 3-(6-propyl-1,3-benzodioxol-5-yl)propanoate IUPAC Name: sodium 3-(6-propyl-1,3-benzodioxol-5-yl)propanoate Traditional Name: sodium 3-(6-propyl-1,3-benzodioxol-5-yl)propionate Formula: C13H15NaO4 MolecularWeight: 258.24557

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

Isomeric SMILES

CCCC1=CC2=C(C=C1CCC(=O)[O-])OCO2.[Na+]

InChI

InChI=1S/C13H16O4.Na/c1-2-3-9-6-11-12(17-8-16-11)7-10(9)4-5-13(14)15;/h6-7H,2-5,8H2,1H3,(H,14,15);/q;+1/p-1