butyl ethanoate; 2-methylbutan-2-yl 4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]butanoate

Systemtic Name: butyl ethanoate; 2-methylbutan-2-yl 4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]butanoate Openeye Name: butyl acetate; 1,1-dimethylpropyl 3-tert-butoxy-4-methoxy-2-methyl-butanoate CAS Name: acetic acid butyl ester; 4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid 2-methylbutan-2-yl ester IUPAC Name: butyl acetate; 2-methylbutan-2-yl 4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]butanoate Traditional Name: acetic acid butyl ester; 3-tert-butoxy-4-methoxy-2-methyl-butyric acid tert-amyl ester Formula: C21H42O6 MolecularWeight: 390.55458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C.CCC(C)(C)OC(=O)C(C)C(COC)OC(C)(C)C

Isomeric SMILES

CCCCOC(=O)C.CCC(C)(C)OC(=O)C(C)C(COC)OC(C)(C)C

InChI

InChI=1S/C15H30O4.C6H12O2/c1-9-15(6,7)19-13(16)11(2)12(10-17-8)18-14(3,4)5;1-3-4-5-8-6(2)7/h11-12H,9-10H2,1-8H3;3-5H2,1-2H3