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

Systemtic Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfinyl]ethanoic acid Openeye Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfinyl]acetic acid CAS Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfinyl]acetic acid IUPAC Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfinyl]acetic acid Traditional Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfinyl]acetic acid Formula: C12H14O5S MolecularWeight: 270.30156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(C)S(=O)CC(=O)O)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(C)S(=O)CC(=O)O)OCO2

InChI

InChI=1S/C12H14O5S/c1-7-3-10-11(17-6-16-10)4-9(7)8(2)18(15)5-12(13)14/h3-4,8H,5-6H2,1-2H3,(H,13,14)