iridium; (Z)-4-oxidanylpent-3-en-2-one; 2-phenyl-1,3-benzothiazole; 2-phenyl-3H-2,1-benzothiazole

Systemtic Name: iridium; (Z)-4-oxidanylpent-3-en-2-one; 2-phenyl-1,3-benzothiazole; 2-phenyl-3H-2,1-benzothiazole Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-phenyl-1,3-benzothiazole; 2-phenyl-3H-2,1-benzothiazole CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium; 2-phenyl-1,3-benzothiazole; 2-phenyl-3H-2,1-benzothiazole IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-phenyl-1,3-benzothiazole; 2-phenyl-3H-2,1-benzothiazole Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-phenyl-1,3-benzothiazole; 2-phenyl-3H-2,1-benzothiazole Formula: C31H26IrN2O2S2-2 MolecularWeight: 714.89734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1C2=CC=CC=C2N=S1C3=CC=CC=[C-]3.C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1C2=CC=CC=C2N=S1C3=CC=CC=[C-]3.C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.[Ir]

InChI

InChI=1S/C13H10NS.C13H8NS.C5H8O2.Ir/c1-2-7-12(8-3-1)15-10-11-6-4-5-9-13(11)14-15;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-4(6)3-5(2)7;/h1-7,9H,10H2;1-6,8-9H;3,6H,1-2H3;/q2*-1;;/b;;4-3-;