butanoate; 2,2,4-trimethylpentane; hydrate

Systemtic Name: butanoate; 2,2,4-trimethylpentane; hydrate Openeye Name: butanoate; 2,2,4-trimethylpentane; hydrate CAS Name: butanoate; 2,2,4-trimethylpentane; hydrate IUPAC Name: butanoate; 2,2,4-trimethylpentane; hydrate Traditional Name: butyrate; 2,2,4-trimethylpentane; hydrate Formula: C12H27O3- MolecularWeight: 219.34098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18.C4H8O2.H2O/c1-7(2)6-8(3,4)5;1-2-3-4(5)6;/h7H,6H2,1-5H3;2-3H2,1H3,(H,5,6);1H2/p-1