hexanoic acid; 3-methylbutanoate

Systemtic Name: hexanoic acid; 3-methylbutanoate Openeye Name: hexanoic acid; 3-methylbutanoate CAS Name: hexanoic acid; 3-methylbutanoate IUPAC Name: hexanoic acid; 3-methylbutanoate Traditional Name: hexanoic acid; 3-methylbutyrate Formula: C11H21O4- MolecularWeight: 217.28204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.CC(C)CC(=O)[O-]

Isomeric SMILES

CCCCCC(=O)O.CC(C)CC(=O)[O-]

InChI

InChI=1S/C6H12O2.C5H10O2/c1-2-3-4-5-6(7)8;1-4(2)3-5(6)7/h2-5H2,1H3,(H,7,8);4H,3H2,1-2H3,(H,6,7)/p-1