(E)-but-2-enedioic acid; butyl prop-2-enoate; methyl prop-2-enoate

Systemtic Name: (E)-but-2-enedioic acid; butyl prop-2-enoate; methyl prop-2-enoate Openeye Name: butyl prop-2-enoate; fumaric acid; methyl prop-2-enoate CAS Name: (E)-2-butenedioic acid; 2-propenoic acid butyl ester; 2-propenoic acid methyl ester IUPAC Name: (E)-but-2-enedioic acid; butyl prop-2-enoate; methyl prop-2-enoate Traditional Name: acrylic acid butyl ester; acrylic acid methyl ester; fumaric acid Formula: C15H22O8 MolecularWeight: 330.33038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.COC(=O)C=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC(=O)C=C.COC(=O)C=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C7H12O2.C4H4O4.C4H6O2/c1-3-5-6-9-7(8)4-2;5-3(6)1-2-4(7)8;1-3-4(5)6-2/h4H,2-3,5-6H2,1H3;1-2H,(H,5,6)(H,7,8);3H,1H2,2H3/b;2-1+;