carbanide; iridium; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanedithiolate

Systemtic Name: carbanide; iridium; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanedithiolate Openeye Name: carbanide; iridium; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanedithiolate CAS Name: carbanide; iridium; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanedithiolate IUPAC Name: carbanide; iridium; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanedithiolate Traditional Name: carbanide; iridium; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanedithiolate Formula: C29H42Ir2S2-6 MolecularWeight: 839.20778

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.C1=CC=C(C=C1)C([S-])[S-].[Ir].[Ir]

Isomeric SMILES

[CH3-].[CH3-].C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.C1=CC=C(C=C1)C([S-])[S-].[Ir].[Ir]

InChI

InChI=1S/2C10H15.C7H8S2.2CH3.2Ir/c2*1-6-7(2)9(4)10(5)8(6)3;8-7(9)6-4-2-1-3-5-6;;;;/h2*1-5H3;1-5,7-9H;2*1H3;;/q2*-1;;2*-1;;/p-2