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

Systemtic Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid CAS Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)ethylthio]acetic acid IUPAC Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid Traditional Name: 2-[1-(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=C1C(C)SCC(=O)O)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(C)SCC(=O)O)OCO2

InChI

InChI=1S/C12H14O4S/c1-7-3-10-11(16-6-15-10)4-9(7)8(2)17-5-12(13)14/h3-4,8H,5-6H2,1-2H3,(H,13,14)