1,2-bis[2,6-di(propan-2-yl)phenyl]-4-phenyl-pyrazol-2-ium; molecular iodine; iodide

Systemtic Name: 1,2-bis[2,6-di(propan-2-yl)phenyl]-4-phenyl-pyrazol-2-ium; molecular iodine; iodide Openeye Name: 1,2-bis(2,6-diisopropylphenyl)-4-phenyl-pyrazol-2-ium; molecular iodine; iodide CAS Name: 1,2-bis[2,6-di(propan-2-yl)phenyl]-4-phenylpyrazol-2-ium; molecular iodine; iodide IUPAC Name: 1,2-bis[2,6-di(propan-2-yl)phenyl]-4-phenylpyrazol-2-ium; molecular iodine; iodide Traditional Name: 1,2-bis(2,6-diisopropylphenyl)-4-phenyl-pyrazol-2-ium; molecular iodine; iodide Formula: C33H41I5N2 MolecularWeight: 1100.21439

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C(C=[N+]2C3=C(C=CC=C3C(C)C)C(C)C)C4=CC=CC=C4.[I-].II.II

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C(C=[N+]2C3=C(C=CC=C3C(C)C)C(C)C)C4=CC=CC=C4.[I-].II.II

InChI

InChI=1S/C33H41N2.2I2.HI/c1-22(2)28-16-12-17-29(23(3)4)32(28)34-20-27(26-14-10-9-11-15-26)21-35(34)33-30(24(5)6)18-13-19-31(33)25(7)8;2*1-2;/h9-25H,1-8H3;;;1H/q+1;;;/p-1