1,4,4-triacetyloxybutyl ethanoate; 1,5,5-triacetyloxypentyl ethanoate

Systemtic Name: 1,4,4-triacetyloxybutyl ethanoate; 1,5,5-triacetyloxypentyl ethanoate Openeye Name: 1,4,4-triacetoxybutyl acetate; 1,5,5-triacetoxypentyl acetate CAS Name: acetic acid 1,4,4-triacetyloxybutyl ester; acetic acid 1,5,5-triacetyloxypentyl ester IUPAC Name: 1,4,4-triacetyloxybutyl acetate; 1,5,5-triacetyloxypentyl acetate Traditional Name: acetic acid 1,4,4-triacetoxybutyl ester; acetic acid 1,5,5-triacetoxypentyl ester Formula: C25H38O16 MolecularWeight: 594.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCC(OC(=O)C)OC(=O)C)OC(=O)C.CC(=O)OC(CCC(OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC(CCCC(OC(=O)C)OC(=O)C)OC(=O)C.CC(=O)OC(CCC(OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C13H20O8.C12H18O8/c1-8(14)18-12(19-9(2)15)6-5-7-13(20-10(3)16)21-11(4)17;1-7(13)17-11(18-8(2)14)5-6-12(19-9(3)15)20-10(4)16/h12-13H,5-7H2,1-4H3;11-12H,5-6H2,1-4H3