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

Systemtic Name: 2-[2-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(6-methyl-1,3-benzodioxol-5-yl)ethylthio]acetic acid IUPAC Name: 2-[2-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(6-methyl-1,3-benzodioxol-5-yl)ethylthio]acetic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1CCSCC(=O)O)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1CCSCC(=O)O)OCO2

InChI

InChI=1S/C12H14O4S/c1-8-4-10-11(16-7-15-10)5-9(8)2-3-17-6-12(13)14/h4-5H,2-3,6-7H2,1H3,(H,13,14)