butanoate; 2,2,4-trimethylpentane

Systemtic Name: butanoate; 2,2,4-trimethylpentane Openeye Name: butanoate; 2,2,4-trimethylpentane CAS Name: butanoate; 2,2,4-trimethylpentane IUPAC Name: butanoate; 2,2,4-trimethylpentane Traditional Name: butyrate; 2,2,4-trimethylpentane Formula: C12H25O2- MolecularWeight: 201.3257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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