1-ethoxypropan-2-one; iridium(3-); pentane-2,4-diol; pentane-2,4-dione

Systemtic Name: 1-ethoxypropan-2-one; iridium(3-); pentane-2,4-diol; pentane-2,4-dione Openeye Name: 1-ethoxypropan-2-one; iridium(3-); pentane-2,4-diol; pentane-2,4-dione CAS Name: 1-ethoxy-2-propanone; iridium(3-); pentane-2,4-diol; pentane-2,4-dione IUPAC Name: 1-ethoxypropan-2-one; iridium(3-); pentane-2,4-diol; pentane-2,4-dione Traditional Name: 1-ethoxyacetone; iridium(3-); pentane-2,4-diol; pentane-2,4-dione Formula: C30H56Ir2O12-10 MolecularWeight: 993.19244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCO[CH-]C(=O)C.CCO[CH-]C(=O)C.CC(CC(C)O)O.CC(CC(C)O)O.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ir-3].[Ir-3]

Isomeric SMILES

CCO[CH-]C(=O)C.CCO[CH-]C(=O)C.CC(CC(C)O)O.CC(CC(C)O)O.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ir-3].[Ir-3]

InChI

InChI=1S/2C5H12O2.2C5H7O2.2C5H9O2.2Ir/c4*1-4(6)3-5(2)7;2*1-3-7-4-5(2)6;;/h2*4-7H,3H2,1-2H3;2*3H,1-2H3;2*4H,3H2,1-2H3;;/q;;4*-1;2*-3