ethyl butanoate; ethyl 3-methylbutanoate

Systemtic Name: ethyl butanoate; ethyl 3-methylbutanoate Openeye Name: ethyl butanoate; ethyl 3-methylbutanoate CAS Name: butanoic acid ethyl ester; 3-methylbutanoic acid ethyl ester IUPAC Name: ethyl butanoate; ethyl 3-methylbutanoate Traditional Name: butyric acid ethyl ester; 3-methylbutyric acid ethyl ester Formula: C13H26O4 MolecularWeight: 246.34314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC.CCOC(=O)CC(C)C

Isomeric SMILES

CCCC(=O)OCC.CCOC(=O)CC(C)C

InChI

InChI=1S/C7H14O2.C6H12O2/c1-4-9-7(8)5-6(2)3;1-3-5-6(7)8-4-2/h6H,4-5H2,1-3H3;3-5H2,1-2H3