butan-2-one; butyl ethanoate; 1-methoxypropyl ethanoate; 4-methylpentan-2-one

Systemtic Name: butan-2-one; butyl ethanoate; 1-methoxypropyl ethanoate; 4-methylpentan-2-one Openeye Name: butan-2-one; butyl acetate; 1-methoxypropyl acetate; 4-methylpentan-2-one CAS Name: acetic acid butyl ester; acetic acid 1-methoxypropyl ester; 2-butanone; 4-methyl-2-pentanone IUPAC Name: butan-2-one; butyl acetate; 1-methoxypropyl acetate; 4-methylpentan-2-one Traditional Name: acetic acid butyl ester; acetic acid 1-methoxypropyl ester; butan-2-one; 4-methylpentan-2-one Formula: C22H44O7 MolecularWeight: 420.58056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O3.C6H12O2.C6H12O.C4H8O/c1-4-6(8-3)9-5(2)7;1-3-4-5-8-6(2)7;1-5(2)4-6(3)7;1-3-4(2)5/h6H,4H2,1-3H3;3-5H2,1-2H3;5H,4H2,1-3H3;3H2,1-2H3