(E)-but-2-enedioic acid; pentane-1,2,4,5-tetrol; phthalic acid

Systemtic Name: (E)-but-2-enedioic acid; pentane-1,2,4,5-tetrol; phthalic acid Openeye Name: fumaric acid; pentane-1,2,4,5-tetrol; phthalic acid CAS Name: (E)-2-butenedioic acid; pentane-1,2,4,5-tetrol; phthalic acid IUPAC Name: (E)-but-2-enedioic acid; pentane-1,2,4,5-tetrol; phthalic acid Traditional Name: fumaric acid; pentane-1,2,4,5-tetrol; phthalic acid Formula: C17H22O12 MolecularWeight: 418.34938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)C(=O)O.C(C(CO)O)C(CO)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)O.C(C(CO)O)C(CO)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H6O4.C5H12O4.C4H4O4/c9-7(10)5-3-1-2-4-6(5)8(11)12;6-2-4(8)1-5(9)3-7;5-3(6)1-2-4(7)8/h1-4H,(H,9,10)(H,11,12);4-9H,1-3H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+