(E)-but-2-enedioic acid; (2E,4E)-5-phenylpenta-2,4-dienoate

Systemtic Name: (E)-but-2-enedioic acid; (2E,4E)-5-phenylpenta-2,4-dienoate Openeye Name: fumaric acid; (2E,4E)-5-phenylpenta-2,4-dienoate CAS Name: (E)-2-butenedioic acid; (2E,4E)-5-phenylpenta-2,4-dienoate IUPAC Name: (E)-but-2-enedioic acid; (2E,4E)-5-phenylpenta-2,4-dienoate Traditional Name: fumaric acid; (2E,4E)-5-phenylpenta-2,4-dienoate Formula: C15H13O6- MolecularWeight: 289.26012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O2.C4H4O4/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;5-3(6)1-2-4(7)8/h1-9H,(H,12,13);1-2H,(H,5,6)(H,7,8)/p-1/b8-4+,9-5+;2-1+