(E)-but-2-enedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid

Systemtic Name: (E)-but-2-enedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid Openeye Name: fumaric acid; (9Z,12Z)-octadeca-9,12-dienoic acid CAS Name: (E)-2-butenedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid IUPAC Name: (E)-but-2-enedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid Traditional Name: fumaric acid; (9Z,12Z)-octadeca-9,12-dienoic acid Formula: C22H36O6 MolecularWeight: 396.51764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H32O2.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3(6)1-2-4(7)8/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b7-6-,10-9-;2-1+