2,2-dimethylpropane-1,3-diol; 2-ethylpentanoic acid

Systemtic Name: 2,2-dimethylpropane-1,3-diol; 2-ethylpentanoic acid Openeye Name: 2,2-dimethylpropane-1,3-diol; 2-ethylpentanoic acid CAS Name: 2,2-dimethylpropane-1,3-diol; 2-ethylpentanoic acid IUPAC Name: 2,2-dimethylpropane-1,3-diol; 2-ethylpentanoic acid Traditional Name: 2,2-dimethylpropane-1,3-diol; 2-ethylvaleric acid Formula: C12H26O4 MolecularWeight: 234.33244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C(=O)O.CC(C)(CO)CO

Isomeric SMILES

CCCC(CC)C(=O)O.CC(C)(CO)CO

InChI

InChI=1S/C7H14O2.C5H12O2/c1-3-5-6(4-2)7(8)9;1-5(2,3-6)4-7/h6H,3-5H2,1-2H3,(H,8,9);6-7H,3-4H2,1-2H3