2-[2-(2-methoxyethoxy)ethoxy]ethyl ethanoate; 2-methylbutanoic acid; 2-methylhexanoic acid

Systemtic Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl ethanoate; 2-methylbutanoic acid; 2-methylhexanoic acid Openeye Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl acetate; 2-methylbutanoic acid; 2-methylhexanoic acid CAS Name: acetic acid 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester; 2-methylbutanoic acid; 2-methylhexanoic acid IUPAC Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl acetate; 2-methylbutanoic acid; 2-methylhexanoic acid Traditional Name: acetic acid 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester; 2-methylbutyric acid; 2-methylhexanoic acid Formula: C21H42O9 MolecularWeight: 438.55278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)O.CCC(C)C(=O)O.CC(=O)OCCOCCOCCOC

Isomeric SMILES

CCCCC(C)C(=O)O.CCC(C)C(=O)O.CC(=O)OCCOCCOCCOC

InChI

InChI=1S/C9H18O5.C7H14O2.C5H10O2/c1-9(10)14-8-7-13-6-5-12-4-3-11-2;1-3-4-5-6(2)7(8)9;1-3-4(2)5(6)7/h3-8H2,1-2H3;6H,3-5H2,1-2H3,(H,8,9);4H,3H2,1-2H3,(H,6,7)