2-[(3-acetyloxy-4-methoxy-phenyl)methylidene]propanedioic acid

Systemtic Name: 2-[(3-acetyloxy-4-methoxy-phenyl)methylidene]propanedioic acid Openeye Name: 2-[(3-acetoxy-4-methoxy-phenyl)methylene]propanedioic acid CAS Name: 2-[(3-acetyloxy-4-methoxyphenyl)methylidene]propanedioic acid IUPAC Name: 2-[(3-acetyloxy-4-methoxyphenyl)methylidene]propanedioic acid Traditional Name: 2-(3-acetoxy-4-methoxy-benzylidene)malonic acid Formula: C13H12O7 MolecularWeight: 280.23018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)C=C(C(=O)O)C(=O)O)OC

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)C=C(C(=O)O)C(=O)O)OC

InChI

InChI=1S/C13H12O7/c1-7(14)20-11-6-8(3-4-10(11)19-2)5-9(12(15)16)13(17)18/h3-6H,1-2H3,(H,15,16)(H,17,18)