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

Systemtic Name: iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole Formula: C39H28IrN2O2S2-5 MolecularWeight: 812.99882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C2C(=C1)N=C(S2)C3=C4C=CC=CC4=CC=[C-]3.C1=CC=C2C(=C1)N=C(S2)C3=C4C=CC=CC4=CC=[C-]3.[Ir-3]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C2C(=C1)N=C(S2)C3=C4C=CC=CC4=CC=[C-]3.C1=CC=C2C(=C1)N=C(S2)C3=C4C=CC=CC4=CC=[C-]3.[Ir-3]

InChI

InChI=1S/2C17H10NS.C5H8O2.Ir/c2*1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17;1-4(6)3-5(2)7;/h2*1-8,10-11H;3,6H,1-2H3;/q2*-1;;-3/b;;4-3-;