butanoate; hexane; methanoic acid

Systemtic Name: butanoate; hexane; methanoic acid Openeye Name: butanoate; formic acid; hexane CAS Name: butanoate; formic acid; hexane IUPAC Name: butanoate; formic acid; hexane Traditional Name: butyrate; formic acid; n-hexane Formula: C11H23O4- MolecularWeight: 219.29792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14.C4H8O2.CH2O2/c1-3-5-6-4-2;1-2-3-4(5)6;2-1-3/h3-6H2,1-2H3;2-3H2,1H3,(H,5,6);1H,(H,2,3)/p-1