1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carboxylate

Systemtic Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carboxylate Openeye Name: 1,3-bis(2,6-diisopropylphenyl)imidazol-1-ium-2-carboxylate CAS Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-imidazol-1-iumcarboxylate IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carboxylate Traditional Name: 1,3-bis(2,6-diisopropylphenyl)imidazol-1-ium-2-carboxylate Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2C(=O)[O-])C3=C(C=CC=C3C(C)C)C(C)C

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2C(=O)[O-])C3=C(C=CC=C3C(C)C)C(C)C

InChI

InChI=1S/C28H36N2O2/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28(31)32)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3