3-methylbutanal; octanal

Systemtic Name: 3-methylbutanal; octanal Openeye Name: 3-methylbutanal; octanal CAS Name: 3-methylbutanal; octanal IUPAC Name: 3-methylbutanal; octanal Traditional Name: caprylaldehyde; 3-methylbutyraldehyde Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=O.CC(C)CC=O

Isomeric SMILES

CCCCCCCC=O.CC(C)CC=O

InChI

InChI=1S/C8H16O.C5H10O/c1-2-3-4-5-6-7-8-9;1-5(2)3-4-6/h8H,2-7H2,1H3;4-5H,3H2,1-2H3