(E)-but-2-enedioic acid; butyl (E)-2-methylidene-4-phenyl-but-3-enoate

Systemtic Name: (E)-but-2-enedioic acid; butyl (E)-2-methylidene-4-phenyl-but-3-enoate Openeye Name: butyl (E)-2-methylene-4-phenyl-but-3-enoate; fumaric acid CAS Name: (E)-2-butenedioic acid; (E)-2-methylene-4-phenyl-3-butenoic acid butyl ester IUPAC Name: (E)-but-2-enedioic acid; butyl (E)-2-methylidene-4-phenylbut-3-enoate Traditional Name: fumaric acid; (E)-2-methylene-4-phenyl-but-3-enoic acid butyl ester Formula: C19H22O6 MolecularWeight: 346.37438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O2.C4H4O4/c1-3-4-12-17-15(16)13(2)10-11-14-8-6-5-7-9-14;5-3(6)1-2-4(7)8/h5-11H,2-4,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b11-10+;2-1+