2,2-dimethylpropanoic acid; (E)-2-methyloct-2-enoate; hydrochloride

Systemtic Name: 2,2-dimethylpropanoic acid; (E)-2-methyloct-2-enoate; hydrochloride Openeye Name: 2,2-dimethylpropanoic acid; (E)-2-methyloct-2-enoate; hydrochloride CAS Name: 2,2-dimethylpropanoic acid; (E)-2-methyl-2-octenoate; hydrochloride IUPAC Name: 2,2-dimethylpropanoic acid; (E)-2-methyloct-2-enoate; hydrochloride Traditional Name: 2,2-dimethylpropionic acid; (E)-2-methyloct-2-enoate; hydrochloride Formula: C14H26ClO4- MolecularWeight: 293.80684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O2.C5H10O2.ClH/c1-3-4-5-6-7-8(2)9(10)11;1-5(2,3)4(6)7;/h7H,3-6H2,1-2H3,(H,10,11);1-3H3,(H,6,7);1H/p-1/b8-7+;;