Synonyms
1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carboxylate
IUPAC Name
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carboxylate
Molecular Weight
432.60
Molecular Formula
C28H36N2O2
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;
InChI
YJFHWSQOLOIECF-UHFFFAOYSA-N
InChI Key
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
Melting Point
198 °C(dec.)(lit.)
Purity
98%+
Complexity
533
Covalently-Bonded Unit Count
1
Exact Mass
432.278g/mol
H-Bond Acceptor
2
Heavy Atom Count
32
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
Monoisotopic Mass
432.278g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
48.9A^2
