2,2-dimethylpropanoate; 2-ethylhexanoic acid

Systemtic Name: 2,2-dimethylpropanoate; 2-ethylhexanoic acid Openeye Name: 2,2-dimethylpropanoate; 2-ethylhexanoic acid CAS Name: 2,2-dimethylpropanoate; 2-ethylhexanoic acid IUPAC Name: 2,2-dimethylpropanoate; 2-ethylhexanoic acid Traditional Name: 2,2-dimethylpropionate; 2-ethylhexanoic acid Formula: C13H25O4- MolecularWeight: 245.3352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C5H10O2/c1-3-5-6-7(4-2)8(9)10;1-5(2,3)4(6)7/h7H,3-6H2,1-2H3,(H,9,10);1-3H3,(H,6,7)/p-1