2-methyl-4-phenyl-1,4-dihydroazulen-1-ide; phenylazanide; zirconium(3+); dichloride

Systemtic Name: 2-methyl-4-phenyl-1,4-dihydroazulen-1-ide; phenylazanide; zirconium(3+); dichloride Openeye Name: 2-methyl-4-phenyl-1,4-dihydroazulen-1-ide; phenylazanide; zirconium(3+); dichloride CAS Name: 2-methyl-4-phenyl-1,4-dihydroazulen-1-ide; phenylazanide; zirconium(3+); dichloride IUPAC Name: 2-methyl-4-phenyl-1,4-dihydroazulen-1-ide; phenylazanide; zirconium(3+); dichloride Traditional Name: 2-methyl-4-phenyl-1,4-dihydroazulen-1-ide; phenylazanide; zirconium(3+); dichloride Formula: C40H36Cl2NZr-2 MolecularWeight: 692.85054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=CC2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=CC2C3=CC=CC=C3.C1=CC=C(C=C1)[NH-].[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=CC2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=CC2C3=CC=CC=C3.C1=CC=C(C=C1)[NH-].[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/2C17H15.C6H6N.2ClH.Zr/c2*1-13-11-15-9-5-6-10-16(17(15)12-13)14-7-3-2-4-8-14;7-6-4-2-1-3-5-6;;;/h2*2-12,16H,1H3;1-5,7H;2*1H;/q3*-1;;;+3/p-2