furan-2,5-dione; (9E,12E)-octadeca-9,12-dienoic acid

Systemtic Name: furan-2,5-dione; (9E,12E)-octadeca-9,12-dienoic acid Openeye Name: furan-2,5-dione; (9E,12E)-octadeca-9,12-dienoic acid CAS Name: furan-2,5-dione; (9E,12E)-octadeca-9,12-dienoic acid IUPAC Name: furan-2,5-dione; (9E,12E)-octadeca-9,12-dienoic acid Traditional Name: furan-2,5-quinone; (9E,12E)-octadeca-9,12-dienoic acid Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.C1=CC(=O)OC1=O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)O.C1=CC(=O)OC1=O

InChI

InChI=1S/C18H32O2.C4H2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3-1-2-4(6)7-3/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1-2H/b7-6+,10-9+;