iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; prop-2-enoylazanide; propylbenzene

Systemtic Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; prop-2-enoylazanide; propylbenzene Openeye Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; prop-2-enoylazanide; propylbenzene CAS Name: iridium(3+); 1-oxoprop-2-enylazanide; 1,2,3,4,5-pentamethylcyclopentane; propylbenzene IUPAC Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; prop-2-enoylazanide; propylbenzene Traditional Name: acryloylazanide; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; propylbenzene Formula: C22H28IrNO+2 MolecularWeight: 514.68082

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C=CC(=O)[NH-].[CH2][CH][CH]C1=CC=CC=C1.[Ir+3]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C=CC(=O)[NH-].[CH2][CH][CH]C1=CC=CC=C1.[Ir+3]

InChI

InChI=1S/C10H15.C9H9.C3H5NO.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-2-6-9-7-4-3-5-8-9;1-2-3(4)5;/h1-5H3;2-8H,1H2;2H,1H2,(H2,4,5);/q;;;+3/p-1