(E)-but-2-enedioic acid; 2-(2-hydroxyethyloxy)ethyl benzoate

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-hydroxyethyloxy)ethyl benzoate Openeye Name: fumaric acid; 2-(2-hydroxyethoxy)ethyl benzoate CAS Name: benzoic acid 2-(2-hydroxyethoxy)ethyl ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; 2-(2-hydroxyethoxy)ethyl benzoate Traditional Name: benzoic acid 2-(2-hydroxyethoxy)ethyl ester; fumaric acid Formula: C15H18O8 MolecularWeight: 326.29862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOCCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4.C4H4O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10;5-3(6)1-2-4(7)8/h1-5,12H,6-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+