2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; iridium; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; iridium; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; (Z)-4-hydroxypent-3-en-2-one; iridium CAS Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; (Z)-4-hydroxy-3-penten-2-one; iridium IUPAC Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; (Z)-4-hydroxypent-3-en-2-one; iridium Traditional Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; (Z)-4-hydroxypent-3-en-2-one; iridium Formula: C20H17IrN2O2S2- MolecularWeight: 573.70818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C2C(=C1)[N-]C(=CC3=NC4=CC=CC=C4S3)S2.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C2C(=C1)[N-]/C(=C\C3=NC4=CC=CC=C4S3)/S2.[Ir]

InChI

InChI=1S/C15H9N2S2.C5H8O2.Ir/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15;1-4(6)3-5(2)7;/h1-9H;3,6H,1-2H3;/q-1;;/b14-9+;4-3-;