2-[2-methyl-5-(sulfinoamino)-1,3-benzodioxol-2-yl]butanoic acid

Systemtic Name: 2-[2-methyl-5-(sulfinoamino)-1,3-benzodioxol-2-yl]butanoic acid Openeye Name: 2-[2-methyl-5-(sulfinoamino)-1,3-benzodioxol-2-yl]butanoic acid CAS Name: 2-[2-methyl-5-(sulfinoamino)-1,3-benzodioxol-2-yl]butanoic acid IUPAC Name: 2-[2-methyl-5-(sulfinoamino)-1,3-benzodioxol-2-yl]butanoic acid Traditional Name: 2-[2-methyl-5-(sulfinoamino)-1,3-benzodioxol-2-yl]butyric acid Formula: C12H15NO6S MolecularWeight: 301.3156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C1(OC2=C(O1)C=C(C=C2)NS(=O)O)C

Isomeric SMILES

CCC(C(=O)O)C1(OC2=C(O1)C=C(C=C2)NS(=O)O)C

InChI

InChI=1S/C12H15NO6S/c1-3-8(11(14)15)12(2)18-9-5-4-7(13-20(16)17)6-10(9)19-12/h4-6,8,13H,3H2,1-2H3,(H,14,15)(H,16,17)