(E)-but-2-enedioic acid; 4-oxidanylbutyl 2-methylprop-2-enoate

Systemtic Name: (E)-but-2-enedioic acid; 4-oxidanylbutyl 2-methylprop-2-enoate Openeye Name: fumaric acid; 4-hydroxybutyl 2-methylprop-2-enoate CAS Name: (E)-2-butenedioic acid; 2-methyl-2-propenoic acid 4-hydroxybutyl ester IUPAC Name: (E)-but-2-enedioic acid; 4-hydroxybutyl 2-methylprop-2-enoate Traditional Name: fumaric acid; 2-methylacrylic acid 4-hydroxybutyl ester Formula: C12H18O7 MolecularWeight: 274.26712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCCCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=C)C(=O)OCCCCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H14O3.C4H4O4/c1-7(2)8(10)11-6-4-3-5-9;5-3(6)1-2-4(7)8/h9H,1,3-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+