4-(2,5-dimethylphenyl)-2,2-dimethyl-butanoate

Systemtic Name: 4-(2,5-dimethylphenyl)-2,2-dimethyl-butanoate Openeye Name: 4-(2,5-dimethylphenyl)-2,2-dimethyl-butanoate CAS Name: 4-(2,5-dimethylphenyl)-2,2-dimethylbutanoate IUPAC Name: 4-(2,5-dimethylphenyl)-2,2-dimethylbutanoate Traditional Name: 4-(2,5-dimethylphenyl)-2,2-dimethyl-butyrate Formula: C14H19O2- MolecularWeight: 219.29946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CCC(C)(C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CCC(C)(C)C(=O)[O-]

InChI

InChI=1S/C14H20O2/c1-10-5-6-11(2)12(9-10)7-8-14(3,4)13(15)16/h5-6,9H,7-8H2,1-4H3,(H,15,16)/p-1