(E)-but-2-enedioic acid; (2E,4E)-2-methyl-5-phenyl-penta-2,4-dienoate

Systemtic Name: (E)-but-2-enedioic acid; (2E,4E)-2-methyl-5-phenyl-penta-2,4-dienoate Openeye Name: fumaric acid; (2E,4E)-2-methyl-5-phenyl-penta-2,4-dienoate CAS Name: (E)-2-butenedioic acid; (2E,4E)-2-methyl-5-phenylpenta-2,4-dienoate IUPAC Name: (E)-but-2-enedioic acid; (2E,4E)-2-methyl-5-phenylpenta-2,4-dienoate Traditional Name: fumaric acid; (2E,4E)-2-methyl-5-phenyl-penta-2,4-dienoate Formula: C16H15O6- MolecularWeight: 303.2867

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC1=CC=CC=C1)C(=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H12O2.C4H4O4/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11;5-3(6)1-2-4(7)8/h2-9H,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/p-1/b9-5+,10-6+;2-1+