2,3,4,5,6-pentakis(2,2-dimethylpropyl)benzoate

Systemtic Name: 2,3,4,5,6-pentakis(2,2-dimethylpropyl)benzoate Openeye Name: 2,3,4,5,6-pentakis(2,2-dimethylpropyl)benzoate CAS Name: 2,3,4,5,6-pentakis(2,2-dimethylpropyl)benzoate IUPAC Name: 2,3,4,5,6-pentakis(2,2-dimethylpropyl)benzoate Traditional Name: 2,3,4,5,6-pentaneopentylbenzoate Formula: C32H55O2- MolecularWeight: 471.7779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C(=C(C(=C1CC(C)(C)C)CC(C)(C)C)C(=O)[O-])CC(C)(C)C)CC(C)(C)C

Isomeric SMILES

CC(C)(C)CC1=C(C(=C(C(=C1CC(C)(C)C)CC(C)(C)C)C(=O)[O-])CC(C)(C)C)CC(C)(C)C

InChI

InChI=1S/C32H56O2/c1-28(2,3)16-21-22(17-29(4,5)6)24(19-31(10,11)12)26(27(33)34)25(20-32(13,14)15)23(21)18-30(7,8)9/h16-20H2,1-15H3,(H,33,34)/p-1