benzene-1,3-dicarboxylate; (E)-but-2-enedioic acid

Systemtic Name: benzene-1,3-dicarboxylate; (E)-but-2-enedioic acid Openeye Name: benzene-1,3-dicarboxylate; fumaric acid CAS Name: benzene-1,3-dicarboxylate; (E)-2-butenedioic acid IUPAC Name: benzene-1,3-dicarboxylate; (E)-but-2-enedioic acid Traditional Name: fumaric acid; isophthalate Formula: C12H8O8-2 MolecularWeight: 280.18712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H6O4.C4H4O4/c9-7(10)5-2-1-3-6(4-5)8(11)12;5-3(6)1-2-4(7)8/h1-4H,(H,9,10)(H,11,12);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+