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

Systemtic Name: iridium(3-); (Z)-4-oxidanylpent-3-en-2-one; 2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium(3-); 2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole Formula: C27H20IrN2O2S4-5 MolecularWeight: 724.9369

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C2C(=C1)N=C(S2)C3=[C-]C=CS3.C1=CC=C2C(=C1)N=C(S2)C3=[C-]C=CS3.[Ir-3]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C2C(=C1)N=C(S2)C3=[C-]C=CS3.C1=CC=C2C(=C1)N=C(S2)C3=[C-]C=CS3.[Ir-3]

InChI

InChI=1S/2C11H6NS2.C5H8O2.Ir/c2*1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10;1-4(6)3-5(2)7;/h2*1-5,7H;3,6H,1-2H3;/q2*-1;;-3/b;;4-3-;