sodium 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-pentanoate

Systemtic Name: sodium 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-pentanoate Openeye Name: sodium 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-pentanoate CAS Name: sodium 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidenepentanoate IUPAC Name: sodium 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidenepentanoate Traditional Name: sodium 3-piperonyl-2-thioxo-valerate Formula: C13H13NaO4S MolecularWeight: 288.29469

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC2=C(C=C1)OCO2)C(=S)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC1=CC2=C(C=C1)OCO2)C(=S)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H14O4S.Na/c1-2-9(12(18)13(14)15)5-8-3-4-10-11(6-8)17-7-16-10;/h3-4,6,9H,2,5,7H2,1H3,(H,14,15);/q;+1/p-1