3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-pentanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-pentanoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-pentanoic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidenepentanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidenepentanoic acid Traditional Name: 3-piperonyl-2-thioxo-valeric acid Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC2=C(C=C1)OCO2)C(=S)C(=O)O

Isomeric SMILES

CCC(CC1=CC2=C(C=C1)OCO2)C(=S)C(=O)O

InChI

InChI=1S/C13H14O4S/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)