2-methylpropanoate; 2,2,4-trimethylpentane-1,3-diol

Systemtic Name: 2-methylpropanoate; 2,2,4-trimethylpentane-1,3-diol Openeye Name: 2-methylpropanoate; 2,2,4-trimethylpentane-1,3-diol CAS Name: 2-methylpropanoate; 2,2,4-trimethylpentane-1,3-diol IUPAC Name: 2-methylpropanoate; 2,2,4-trimethylpentane-1,3-diol Traditional Name: 2,2,4-trimethylpentane-1,3-diol isobutyrate Formula: C12H25O4- MolecularWeight: 233.3245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18O2.C4H8O2/c1-6(2)7(10)8(3,4)5-9;1-3(2)4(5)6/h6-7,9-10H,5H2,1-4H3;3H,1-2H3,(H,5,6)/p-1