2-(3H-1-benzothiophen-3-id-2-yl)pyridine; carbanide; iridium; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; carbanide; iridium; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; iridium CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one; iridium IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one; iridium Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; iridium Formula: C38H39IrN2O2S2-3 MolecularWeight: 812.07546

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC(C)(C)C(=CC(=O)C(C)(C)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]

Isomeric SMILES

[CH3-].CC(C)(C)/C(=C/C(=O)C(C)(C)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]

InChI

InChI=1S/2C13H8NS.C11H20O2.CH3.Ir/c2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*1-8H;7,12H,1-6H3;1H3;/q2*-1;;-1;/b;;8-7-;;