3-(2,2-dimethylpropyl)-2,4,5-trimethyl-benzoate

Systemtic Name: 3-(2,2-dimethylpropyl)-2,4,5-trimethyl-benzoate Openeye Name: 3-(2,2-dimethylpropyl)-2,4,5-trimethyl-benzoate CAS Name: 3-(2,2-dimethylpropyl)-2,4,5-trimethylbenzoate IUPAC Name: 3-(2,2-dimethylpropyl)-2,4,5-trimethylbenzoate Traditional Name: 2,4,5-trimethyl-3-neopentyl-benzoate Formula: C15H21O2- MolecularWeight: 233.32604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O2/c1-9-7-12(14(16)17)11(3)13(10(9)2)8-15(4,5)6/h7H,8H2,1-6H3,(H,16,17)/p-1