3,7-dimethyloct-6-enal; (9E,12E)-octadeca-9,12-dienoic acid

Systemtic Name: 3,7-dimethyloct-6-enal; (9E,12E)-octadeca-9,12-dienoic acid Openeye Name: 3,7-dimethyloct-6-enal; (9E,12E)-octadeca-9,12-dienoic acid CAS Name: 3,7-dimethyl-6-octenal; (9E,12E)-octadeca-9,12-dienoic acid IUPAC Name: 3,7-dimethyloct-6-enal; (9E,12E)-octadeca-9,12-dienoic acid Traditional Name: 3,7-dimethyloct-6-enal; (9E,12E)-octadeca-9,12-dienoic acid Formula: C28H50O3 MolecularWeight: 434.6948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)O.CC(CCC=C(C)C)CC=O

InChI

InChI=1S/C18H32O2.C10H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-9(2)5-4-6-10(3)7-8-11/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);5,8,10H,4,6-7H2,1-3H3/b7-6+,10-9+;