N,N-dimethyl-2-(2-phenylethynyl)aniline; pentane-2,4-diol; ruthenium(2+)

Systemtic Name: N,N-dimethyl-2-(2-phenylethynyl)aniline; pentane-2,4-diol; ruthenium(2+) Openeye Name: N,N-dimethyl-2-(2-phenylethynyl)aniline; pentane-2,4-diol; ruthenium(2+) CAS Name: N,N-dimethyl-2-(2-phenylethynyl)aniline; pentane-2,4-diol; ruthenium(2+) IUPAC Name: N,N-dimethyl-2-(2-phenylethynyl)aniline; pentane-2,4-diol; ruthenium(2+) Traditional Name: dimethyl-[2-(2-phenylethynyl)phenyl]amine; pentane-2,4-diol; ruthenium(2+) Formula: C26H39NO4Ru+2 MolecularWeight: 530.66216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)O)O.CC(CC(C)O)O.CN(C)C1=CC=CC=C1C#CC2=CC=CC=C2.[Ru+2]

Isomeric SMILES

CC(CC(C)O)O.CC(CC(C)O)O.CN(C)C1=CC=CC=C1C#CC2=CC=CC=C2.[Ru+2]

InChI

InChI=1S/C16H15N.2C5H12O2.Ru/c1-17(2)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14;2*1-4(6)3-5(2)7;/h3-11H,1-2H3;2*4-7H,3H2,1-2H3;/q;;;+2