(E)-but-2-enedioic acid; (13E)-docosa-1,13-diene

Systemtic Name: (E)-but-2-enedioic acid; (13E)-docosa-1,13-diene Openeye Name: (13E)-docosa-1,13-diene; fumaric acid CAS Name: (E)-2-butenedioic acid; (13E)-docosa-1,13-diene IUPAC Name: (E)-but-2-enedioic acid; (13E)-docosa-1,13-diene Traditional Name: (13E)-docosa-1,13-diene; fumaric acid Formula: C26H46O4 MolecularWeight: 422.64104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCC=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCC=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H42.C4H4O4/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;5-3(6)1-2-4(7)8/h3,18,20H,1,4-17,19,21-22H2,2H3;1-2H,(H,5,6)(H,7,8)/b20-18+;2-1+