1-butyl-3-[(3-butyl-1H-inden-1-id-2-yl)methyl]inden-3-ide; zirconium(4+); dichloride

Systemtic Name: 1-butyl-3-[(3-butyl-1H-inden-1-id-2-yl)methyl]inden-3-ide; zirconium(4+); dichloride Openeye Name: 1-butyl-3-[(3-butyl-1H-inden-1-id-2-yl)methyl]inden-3-ide; zirconium(4+); dichloride CAS Name: 1-butyl-3-[(3-butyl-1H-inden-1-id-2-yl)methyl]inden-3-ide; zirconium(4+); dichloride IUPAC Name: 1-butyl-3-[(3-butyl-1H-inden-1-id-2-yl)methyl]inden-3-ide; zirconium(4+); dichloride Traditional Name: 1-butyl-3-[(3-butyl-1H-inden-1-id-2-yl)methyl]inden-3-ide; zirconium(4+); dichloride Formula: C27H30Cl2Zr MolecularWeight: 516.6571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[C-](C2=CC=CC=C21)CC3=C(C4=CC=CC=C4[CH-]3)CCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=C[C-](C2=CC=CC=C21)CC3=C(C4=CC=CC=C4[CH-]3)CCCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C27H30.2ClH.Zr/c1-3-5-11-20-17-23(27-16-10-9-15-24(20)27)19-22-18-21-12-7-8-14-25(21)26(22)13-6-4-2;;;/h7-10,12,14-18H,3-6,11,13,19H2,1-2H3;2*1H;/q-2;;;+4/p-2