iridium; (Z)-4-oxidanylpent-3-en-2-one; 4-phenylpteridine

Systemtic Name: iridium; (Z)-4-oxidanylpent-3-en-2-one; 4-phenylpteridine Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 4-phenylpteridine CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium; 4-phenylpteridine IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 4-phenylpteridine Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 4-phenylpteridine Formula: C17H15IrN4O2- MolecularWeight: 499.5436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C([C-]=C1)C2=NC=NC3=NC=CN=C23.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C([C-]=C1)C2=NC=NC3=NC=CN=C23.[Ir]

InChI

InChI=1S/C12H7N4.C5H8O2.Ir/c1-2-4-9(5-3-1)10-11-12(16-8-15-10)14-7-6-13-11;1-4(6)3-5(2)7;/h1-4,6-8H;3,6H,1-2H3;/q-1;;/b;4-3-;