5-cyclopenta-2,4-dien-1-ylidenehexane-2-thiolate; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane

Systemtic Name: 5-cyclopenta-2,4-dien-1-ylidenehexane-2-thiolate; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane Openeye Name: 5-cyclopenta-2,4-dien-1-ylidenehexane-2-thiolate; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane CAS Name: 5-(1-cyclopenta-2,4-dienylidene)-2-hexanethiolate; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane IUPAC Name: 5-cyclopenta-2,4-dien-1-ylidenehexane-2-thiolate; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane Traditional Name: 5-cyclopenta-2,4-dien-1-ylidenehexane-2-thiolate; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane Formula: C21H27IrS+2 MolecularWeight: 503.72108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.CC(=C1C=CC=C1)[CH][CH][C](C)[S-].[Ir+3]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.CC(=C1C=CC=C1)[CH][CH][C](C)[S-].[Ir+3]

InChI

InChI=1S/C11H13S.C10H15.Ir/c1-9(7-8-10(2)12)11-5-3-4-6-11;1-6-7(2)9(4)10(5)8(6)3;/h3-8,12H,1-2H3;1-5H3;/q;;+3/p-1