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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1OC2=C(O1)C=C(C=C2)CCSCC(=O)O

Isomeric SMILES

CC1OC2=C(O1)C=C(C=C2)CCSCC(=O)O

InChI

InChI=1S/C12H14O4S/c1-8-15-10-3-2-9(6-11(10)16-8)4-5-17-7-12(13)14/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)