hexane; 2-methyl-2-oxidanyl-butanoate

Systemtic Name: hexane; 2-methyl-2-oxidanyl-butanoate Openeye Name: hexane; 2-hydroxy-2-methyl-butanoate CAS Name: hexane; 2-hydroxy-2-methylbutanoate IUPAC Name: hexane; 2-hydroxy-2-methylbutanoate Traditional Name: 2-hydroxy-2-methyl-butyrate; n-hexane Formula: C11H23O3- MolecularWeight: 203.29852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14.C5H10O3/c1-3-5-6-4-2;1-3-5(2,8)4(6)7/h3-6H2,1-2H3;8H,3H2,1-2H3,(H,6,7)/p-1