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

Systemtic Name: iridium(3-); 2-(3H-naphthalen-3-id-2-yl)-1,3-benzothiazole; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(3H-naphthalen-3-id-2-yl)-1,3-benzothiazole CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium(3-); 2-(3H-naphthalen-3-id-2-yl)-1,3-benzothiazole IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(3H-naphthalen-3-id-2-yl)-1,3-benzothiazole Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(3H-naphthalen-3-id-2-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=C([C-]=CC2=C1)C3=NC4=CC=CC=C4S3.C1=CC=C2C=C([C-]=CC2=C1)C3=NC4=CC=CC=C4S3.[Ir-3]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C2C=C([C-]=CC2=C1)C3=NC4=CC=CC=C4S3.C1=CC=C2C=C([C-]=CC2=C1)C3=NC4=CC=CC=C4S3.[Ir-3]

InChI

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