2,2-dimethylpropanoic acid; (E)-non-3-enoate

Systemtic Name: 2,2-dimethylpropanoic acid; (E)-non-3-enoate Openeye Name: 2,2-dimethylpropanoic acid; (E)-non-3-enoate CAS Name: 2,2-dimethylpropanoic acid; (E)-3-nonenoate IUPAC Name: 2,2-dimethylpropanoic acid; (E)-non-3-enoate Traditional Name: 2,2-dimethylpropionic acid; (E)-non-3-enoate Formula: C14H25O4- MolecularWeight: 257.3459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C=C/CC(=O)[O-].CC(C)(C)C(=O)O

InChI

InChI=1S/C9H16O2.C5H10O2/c1-2-3-4-5-6-7-8-9(10)11;1-5(2,3)4(6)7/h6-7H,2-5,8H2,1H3,(H,10,11);1-3H3,(H,6,7)/p-1/b7-6+;