(E)-but-2-enedioic acid; (E)-4-dodecan-5-yloxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-but-2-enedioic acid; (E)-4-dodecan-5-yloxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(1-butyloctoxy)-4-oxo-but-2-enoic acid; fumaric acid CAS Name: (E)-2-butenedioic acid; (E)-4-dodecan-5-yloxy-4-oxo-2-butenoic acid IUPAC Name: (E)-but-2-enedioic acid; (E)-4-dodecan-5-yloxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-(1-butyloctoxy)-4-keto-but-2-enoic acid; fumaric acid Formula: C20H32O8 MolecularWeight: 400.46328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCC)OC(=O)C=CC(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(CCCC)OC(=O)/C=C/C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H28O4.C4H4O4/c1-3-5-7-8-9-11-14(10-6-4-2)20-16(19)13-12-15(17)18;5-3(6)1-2-4(7)8/h12-14H,3-11H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b13-12+;2-1+