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butyl ethanoate; ethanoic acid

butyl ethanoate; ethanoic acid

Systemtic Name:butyl ethanoate; ethanoic acid
Openeye Name:acetic acid; butyl acetate
CAS Name:acetic acid; acetic acid butyl ester
IUPAC Name:acetic acid; butyl acetate
Traditional Name:acetic acid; acetic acid butyl ester
Formula: C8H16O4
MolecularWeight: 176.21024
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C.CC(=O)O


Isomeric SMILES

CCCCOC(=O)C.CC(=O)O


InChI

InChI=1S/C6H12O2.C2H4O2/c1-3-4-5-8-6(2)7;1-2(3)4/h3-5H2,1-2H3;1H3,(H,3,4)


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