3-methylbutanal; pentyl ethanoate

Systemtic Name: 3-methylbutanal; pentyl ethanoate Openeye Name: 3-methylbutanal; pentyl acetate CAS Name: acetic acid pentyl ester; 3-methylbutanal IUPAC Name: 3-methylbutanal; pentyl acetate Traditional Name: acetic acid amyl ester; 3-methylbutyraldehyde Formula: C12H24O3 MolecularWeight: 216.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C.CC(C)CC=O

Isomeric SMILES

CCCCCOC(=O)C.CC(C)CC=O

InChI

InChI=1S/C7H14O2.C5H10O/c1-3-4-5-6-9-7(2)8;1-5(2)3-4-6/h3-6H2,1-2H3;4-5H,3H2,1-2H3