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

Systemtic Name: iridium; 3-(2H-naphthalen-2-id-1-yl)isoquinoline; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 3-(2H-naphthalen-2-id-1-yl)isoquinoline CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium; 3-(2H-naphthalen-2-id-1-yl)isoquinoline IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 3-(2H-naphthalen-2-id-1-yl)isoquinoline Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 3-(2H-naphthalen-2-id-1-yl)isoquinoline Formula: C24H20IrNO2- MolecularWeight: 546.6381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C2C=NC(=CC2=C1)C3=C4C=CC=CC4=CC=[C-]3.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C2C=NC(=CC2=C1)C3=C4C=CC=CC4=CC=[C-]3.[Ir]

InChI

InChI=1S/C19H12N.C5H8O2.Ir/c1-2-8-16-13-20-19(12-15(16)7-1)18-11-5-9-14-6-3-4-10-17(14)18;1-4(6)3-5(2)7;/h1-10,12-13H;3,6H,1-2H3;/q-1;;/b;4-3-;