2-(3-fluoranylbenzene-6-id-1-yl)-3,3-dimethyl-indole; iridium; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: 2-(3-fluoranylbenzene-6-id-1-yl)-3,3-dimethyl-indole; iridium; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethyl-indole; (Z)-4-hydroxypent-3-en-2-one; iridium CAS Name: 2-(3-fluoro-1-benzene-6-idyl)-3,3-dimethylindole; (Z)-4-hydroxy-3-penten-2-one; iridium IUPAC Name: 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole; (Z)-4-hydroxypent-3-en-2-one; iridium Traditional Name: 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethyl-indole; (Z)-4-hydroxypent-3-en-2-one; iridium Formula: C21H21FIrNO2- MolecularWeight: 530.612343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.CC1(C2=CC=CC=C2N=C1C3=CC(=CC=[C-]3)F)C.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.CC1(C2=CC=CC=C2N=C1C3=CC(=CC=[C-]3)F)C.[Ir]

InChI

InChI=1S/C16H13FN.C5H8O2.Ir/c1-16(2)13-8-3-4-9-14(13)18-15(16)11-6-5-7-12(17)10-11;1-4(6)3-5(2)7;/h3-5,7-10H,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-;