iridium; 2-(6-isocyano-3H-naphthalen-3-id-2-yl)-1,3-benzothiazole; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: iridium; 2-(6-isocyano-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; 2-(6-isocyano-3H-naphthalen-3-id-2-yl)-1,3-benzothiazole CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium; 2-(6-isocyano-3H-naphthalen-3-id-2-yl)-1,3-benzothiazole IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-(6-isocyano-3H-naphthalen-3-id-2-yl)-1,3-benzothiazole Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-(6-isocyano-3H-naphthalen-3-id-2-yl)-1,3-benzothiazole Formula: C23H17IrN2O2S- MolecularWeight: 577.67528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.[C-]#[N+]C1=CC2=C(C=C1)C=C([C-]=C2)C3=NC4=CC=CC=C4S3.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.[C-]#[N+]C1=CC2=C(C=C1)C=C([C-]=C2)C3=NC4=CC=CC=C4S3.[Ir]

InChI

InChI=1S/C18H9N2S.C5H8O2.Ir/c1-19-15-9-8-12-10-14(7-6-13(12)11-15)18-20-16-4-2-3-5-17(16)21-18;1-4(6)3-5(2)7;/h2-6,8-11H;3,6H,1-2H3;/q-1;;/b;4-3-;