furan-2,5-dione; (E)-octadec-9-enoic acid

Systemtic Name: furan-2,5-dione; (E)-octadec-9-enoic acid Openeye Name: furan-2,5-dione; (E)-octadec-9-enoic acid CAS Name: furan-2,5-dione; (E)-9-octadecenoic acid IUPAC Name: furan-2,5-dione; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; furan-2,5-quinone Formula: C22H36O5 MolecularWeight: 380.51824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.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/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-2H/b10-9+;