(E)-octadec-9-enal; (E)-octadec-9-enoic acid

Systemtic Name: (E)-octadec-9-enal; (E)-octadec-9-enoic acid Openeye Name: (E)-octadec-9-enal; (E)-octadec-9-enoic acid CAS Name: (E)-9-octadecenal; (E)-9-octadecenoic acid IUPAC Name: (E)-octadec-9-enal; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; (E)-octadec-9-enal Formula: C36H68O3 MolecularWeight: 548.92332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC=O.CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3,(H,19,20);9-10,18H,2-8,11-17H2,1H3/b2*10-9+