2,5-diphenyl-1,3-oxazole; iridium(3-); (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: 2,5-diphenyl-1,3-oxazole; iridium(3-); (Z)-4-oxidanylpent-3-en-2-one Openeye Name: 2,5-diphenyloxazole; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) CAS Name: 2,5-diphenyloxazole; (Z)-4-hydroxy-3-penten-2-one; iridium(3-) IUPAC Name: 2,5-diphenyl-1,3-oxazole; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) Traditional Name: 2,5-diphenyloxazole; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) Formula: C35H28IrN2O4-5 MolecularWeight: 732.82482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=[C-]3.C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=[C-]3.[Ir-3]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=[C-]3.C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=[C-]3.[Ir-3]

InChI

InChI=1S/2C15H10NO.C5H8O2.Ir/c2*1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-4(6)3-5(2)7;/h2*1-9,11H;3,6H,1-2H3;/q2*-1;;-3/b;;4-3-;