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2-ethylhexanoic acid; 2-methylbutanoate

2-ethylhexanoic acid; 2-methylbutanoate

Systemtic Name:2-ethylhexanoic acid; 2-methylbutanoate
Openeye Name:2-ethylhexanoic acid; 2-methylbutanoate
CAS Name:2-ethylhexanoic acid; 2-methylbutanoate
IUPAC Name:2-ethylhexanoic acid; 2-methylbutanoate
Traditional Name:2-ethylhexanoic acid; 2-methylbutyrate
Formula: C13H25O4-
MolecularWeight: 245.3352
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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