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

Systemtic Name: iridium; 2-(4-isocyanobenzene-6-id-1-yl)-1,3-benzothiazole; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-(4-isocyanobenzene-6-id-1-yl)-1,3-benzothiazole CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium; 2-(4-isocyano-1-benzene-6-idyl)-1,3-benzothiazole IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-(4-isocyanobenzene-6-id-1-yl)-1,3-benzothiazole Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-(4-isocyanobenzene-6-id-1-yl)-1,3-benzothiazole Formula: C19H15IrN2O2S- MolecularWeight: 527.6166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.[C-]#[N+]C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.[C-]#[N+]C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.[Ir]

InChI

InChI=1S/C14H7N2S.C5H8O2.Ir/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14;1-4(6)3-5(2)7;/h2-6,8-9H;3,6H,1-2H3;/q-1;;/b;4-3-;