2,2-dimethylpropanoic acid; 2-methylheptanoate; hydrochloride

Systemtic Name: 2,2-dimethylpropanoic acid; 2-methylheptanoate; hydrochloride Openeye Name: 2,2-dimethylpropanoic acid; 2-methylheptanoate; hydrochloride CAS Name: 2,2-dimethylpropanoic acid; 2-methylheptanoate; hydrochloride IUPAC Name: 2,2-dimethylpropanoic acid; 2-methylheptanoate; hydrochloride Traditional Name: 2,2-dimethylpropionic acid; 2-methylenanthate; hydrochloride Formula: C13H26ClO4- MolecularWeight: 281.79614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(=O)[O-].CC(C)(C)C(=O)O.Cl

Isomeric SMILES

CCCCCC(C)C(=O)[O-].CC(C)(C)C(=O)O.Cl

InChI

InChI=1S/C8H16O2.C5H10O2.ClH/c1-3-4-5-6-7(2)8(9)10;1-5(2,3)4(6)7;/h7H,3-6H2,1-2H3,(H,9,10);1-3H3,(H,6,7);1H/p-1