2-(3H-1-benzothiophen-3-id-2-yl)-5-phenyl-pyridine; iridium(3-); [(Z)-4-oxidanylpent-3-en-2-ylidene]oxidanium

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-phenyl-pyridine; iridium(3-); [(Z)-4-oxidanylpent-3-en-2-ylidene]oxidanium Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)-5-phenyl-pyridine; [(Z)-3-hydroxy-1-methyl-but-2-enylidene]oxonium; iridium(3-) CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-phenylpyridine; [(Z)-4-hydroxypent-3-en-2-ylidene]oxonium; iridium(3-) IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-phenylpyridine; [(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium; iridium(3-) Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)-5-phenyl-pyridine; [(Z)-3-hydroxy-1-methyl-but-2-enylidene]oxonium; iridium(3-) Formula: C43H33IrN2O2S2-4 MolecularWeight: 866.08132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=[OH+])C)O.C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.[Ir-3]

Isomeric SMILES

C/C(=C/C(=[OH+])C)/O.C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.[Ir-3]

InChI

InChI=1S/2C19H12NS.C5H8O2.Ir/c2*1-2-6-14(7-3-1)16-10-11-17(20-13-16)19-12-15-8-4-5-9-18(15)21-19;1-4(6)3-5(2)7;/h2*1-11,13H;3,6H,1-2H3;/q2*-1;;-3/p+1/b;;4-3-;