4-(1,3-benzodioxol-5-yl)-2-methylidene-4-oxidanyl-butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methylidene-4-oxidanyl-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-2-methylene-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-2-methylenebutanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-2-methylidenebutanoic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]acrylic acid Formula: C12H12O5 MolecularWeight: 236.22068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(C1=CC2=C(C=C1)OCO2)O)C(=O)O

Isomeric SMILES

C=C(CC(C1=CC2=C(C=C1)OCO2)O)C(=O)O

InChI

InChI=1S/C12H12O5/c1-7(12(14)15)4-9(13)8-2-3-10-11(5-8)17-6-16-10/h2-3,5,9,13H,1,4,6H2,(H,14,15)