2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium; (2Z)-4-methylpenta-2,4-dien-2-ol

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium; (2Z)-4-methylpenta-2,4-dien-2-ol Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; iridium; (2Z)-4-methylpenta-2,4-dien-2-ol CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium; (2Z)-4-methyl-2-penta-2,4-dienol IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium; (2Z)-4-methylpenta-2,4-dien-2-ol Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; iridium; (2Z)-4-methylpenta-2,4-dien-2-ol Formula: C19H17IrNOS-2 MolecularWeight: 499.62638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8NS.C6H9O.Ir/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-5(2)4-6(3)7;/h1-8H;1,4,7H,2-3H3;/q2*-1;/b;6-4-;