butanoate; 2,3-dimethylhexan-2-ylazanium

Systemtic Name: butanoate; 2,3-dimethylhexan-2-ylazanium Openeye Name: butanoate; 1,1,2-trimethylpentylammonium CAS Name: butanoate; 2,3-dimethylhexan-2-ylammonium IUPAC Name: butanoate; 2,3-dimethylhexan-2-ylazanium Traditional Name: butyrate; 1,1,2-trimethylpentylammonium Formula: C12H27NO2 MolecularWeight: 217.34828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C)(C)[NH3+].CCCC(=O)[O-]

Isomeric SMILES

CCCC(C)C(C)(C)[NH3+].CCCC(=O)[O-]

InChI

InChI=1S/C8H19N.C4H8O2/c1-5-6-7(2)8(3,4)9;1-2-3-4(5)6/h7H,5-6,9H2,1-4H3;2-3H2,1H3,(H,5,6)