3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]-2-oxo-propanoic acid CAS Name: 3-[2-(1,3-benzodioxol-5-yl)ethylthio]-2-oxopropanoic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]-2-oxopropanoic acid Traditional Name: 3-(homopiperonylthio)-2-keto-propionic acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCSCC(=O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCSCC(=O)C(=O)O

InChI

InChI=1S/C12H12O5S/c13-9(12(14)15)6-18-4-3-8-1-2-10-11(5-8)17-7-16-10/h1-2,5H,3-4,6-7H2,(H,14,15)