2-[2-(6-ethyl-1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(6-ethyl-1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(6-ethyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(6-ethyl-1,3-benzodioxol-5-yl)ethylthio]acetic acid IUPAC Name: 2-[2-(6-ethyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(6-ethyl-1,3-benzodioxol-5-yl)ethylthio]acetic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1CCSCC(=O)O)OCO2

Isomeric SMILES

CCC1=CC2=C(C=C1CCSCC(=O)O)OCO2

InChI

InChI=1S/C13H16O4S/c1-2-9-5-11-12(17-8-16-11)6-10(9)3-4-18-7-13(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15)