iridium; 2-(2-methylbenzene-6-id-1-yl)-2H-quinolin-1-ide; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: iridium; 2-(2-methylbenzene-6-id-1-yl)-2H-quinolin-1-ide; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-(2-methylbenzene-6-id-1-yl)-2H-quinolin-1-ide CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium; 2-(2-methyl-1-benzene-6-idyl)-2H-quinolin-1-ide IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-(2-methylbenzene-6-id-1-yl)-2H-quinolin-1-ide Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 2-(2-methylbenzene-6-id-1-yl)-2H-quinolin-1-ide Formula: C21H21IrNO2-2 MolecularWeight: 511.61394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([C-]=CC=C1)C2C=CC3=CC=CC=C3[N-]2.CC(=CC(=O)C)O.[Ir]

Isomeric SMILES

CC1=C([C-]=CC=C1)C2C=CC3=CC=CC=C3[N-]2.C/C(=C/C(=O)C)/O.[Ir]

InChI

InChI=1S/C16H13N.C5H8O2.Ir/c1-12-6-2-4-8-14(12)16-11-10-13-7-3-5-9-15(13)17-16;1-4(6)3-5(2)7;/h2-7,9-11,16H,1H3;3,6H,1-2H3;/q-2;;/b;4-3-;