cyclooctane; iridium; 1-[2-[3-(phenylmethyl)imidazol-1-yl]naphthalen-1-yl]naphthalen-2-ol

Systemtic Name: cyclooctane; iridium; 1-[2-[3-(phenylmethyl)imidazol-1-yl]naphthalen-1-yl]naphthalen-2-ol Openeye Name: 1-[2-(3-benzylimidazol-1-yl)-1-naphthyl]naphthalen-2-ol; cyclooctane; iridium CAS Name: cyclooctane; iridium; 1-[2-[3-(phenylmethyl)-1-imidazolyl]-1-naphthalenyl]-2-naphthalenol IUPAC Name: 1-[2-(3-benzylimidazol-1-yl)naphthalen-1-yl]naphthalen-2-ol; cyclooctane; iridium Traditional Name: 1-[2-(3-benzylimidazol-1-yl)-1-naphthyl]-2-naphthol; cyclooctane; iridium Formula: C38H34IrN2O MolecularWeight: 726.90636

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Descriptors Computed from Structure

Canonical SMILES:

C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)CN2C=CN([C]2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)O.[Ir]

Isomeric SMILES

C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)CN2C=CN([C]2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)O.[Ir]

InChI

InChI=1S/C30H22N2O.C8H12.Ir/c33-28-17-15-24-11-5-7-13-26(24)30(28)29-25-12-6-4-10-23(25)14-16-27(29)32-19-18-31(21-32)20-22-8-2-1-3-9-22;1-2-4-6-8-7-5-3-1;/h1-19,33H,20H2;1-2,7-8H,3-6H2;