butyl ethanoate; ethyl ethanoate; methylbenzene; ethanoate

Systemtic Name: butyl ethanoate; ethyl ethanoate; methylbenzene; ethanoate Openeye Name: butyl acetate; ethyl acetate; toluene; acetate CAS Name: acetic acid butyl ester; acetic acid ethyl ester; toluene; acetate IUPAC Name: butyl acetate; ethyl acetate; toluene; acetate Traditional Name: acetic acid butyl ester; acetic acid ethyl ester; toluene; acetate Formula: C19H31O6- MolecularWeight: 355.44584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C.CCOC(=O)C.CC1=CC=CC=C1.CC(=O)[O-]

Isomeric SMILES

CCCCOC(=O)C.CCOC(=O)C.CC1=CC=CC=C1.CC(=O)[O-]

InChI

InChI=1S/C7H8.C6H12O2.C4H8O2.C2H4O2/c1-7-5-3-2-4-6-7;1-3-4-5-8-6(2)7;1-3-6-4(2)5;1-2(3)4/h2-6H,1H3;3-5H2,1-2H3;3H2,1-2H3;1H3,(H,3,4)/p-1