(E)-but-2-enedioic acid; methyl (E)-2-methylidene-5-phenyl-pent-4-enoate

Systemtic Name: (E)-but-2-enedioic acid; methyl (E)-2-methylidene-5-phenyl-pent-4-enoate Openeye Name: fumaric acid; methyl (E)-2-methylene-5-phenyl-pent-4-enoate CAS Name: (E)-2-butenedioic acid; (E)-2-methylene-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: (E)-but-2-enedioic acid; methyl (E)-2-methylidene-5-phenylpent-4-enoate Traditional Name: fumaric acid; (E)-2-methylene-5-phenyl-pent-4-enoic acid methyl ester Formula: C17H18O6 MolecularWeight: 318.32122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C)CC=CC1=CC=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14O2.C4H4O4/c1-11(13(14)15-2)7-6-10-12-8-4-3-5-9-12;5-3(6)1-2-4(7)8/h3-6,8-10H,1,7H2,2H3;1-2H,(H,5,6)(H,7,8)/b10-6+;2-1+