2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium(3-); (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium(3-); (Z)-4-oxidanylpent-3-en-2-one Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; (Z)-4-hydroxy-3-penten-2-one; iridium(3-) IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) Formula: C31H24IrN2O2S2-5 MolecularWeight: 712.88146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir-3]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir-3]

InChI

InChI=1S/2C13H8NS.C5H8O2.Ir/c2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-4(6)3-5(2)7;/h2*1-8H;3,6H,1-2H3;/q2*-1;;-3/b;;4-3-;