3-methylbutanoate benzoate

Systemtic Name: 3-methylbutanoate benzoate Openeye Name: 3-methylbutanoate benzoate CAS Name: 3-methylbutanoate benzoate IUPAC Name: 3-methylbutanoate benzoate Traditional Name: 3-methylbutyrate benzoate Formula: C12H14O4-2 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C7H6O2.C5H10O2/c8-7(9)6-4-2-1-3-5-6;1-4(2)3-5(6)7/h1-5H,(H,8,9);4H,3H2,1-2H3,(H,6,7)/p-2