1-butyl-2-[(1-butyl-1H-inden-2-yl)sulfanyl]-1H-indene; zirconium(2+); dichloride

Systemtic Name: 1-butyl-2-[(1-butyl-1H-inden-2-yl)sulfanyl]-1H-indene; zirconium(2+); dichloride Openeye Name: 1-butyl-2-[(1-butyl-1H-inden-2-yl)sulfanyl]-1H-indene; zirconium(2+); dichloride CAS Name: 1-butyl-2-[(1-butyl-1H-inden-2-yl)thio]-1H-indene; zirconium(2+); dichloride IUPAC Name: 1-butyl-2-[(1-butyl-1H-inden-2-yl)sulfanyl]-1H-indene; zirconium(2+); dichloride Traditional Name: 1-butyl-2-[(1-butyl-1H-inden-2-yl)thio]-1H-indene; zirconium(2+); dichloride Formula: C52H60Cl2S2Zr MolecularWeight: 911.2928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2C=C1SC3=CC4=CC=CC=C4C3CCCC.CCCCC1C2=CC=CC=C2C=C1SC3=CC4=CC=CC=C4C3CCCC.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCCCC1C2=CC=CC=C2C=C1SC3=CC4=CC=CC=C4C3CCCC.CCCCC1C2=CC=CC=C2C=C1SC3=CC4=CC=CC=C4C3CCCC.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C26H30S.2ClH.Zr/c2*1-3-5-13-23-21-15-9-7-11-19(21)17-25(23)27-26-18-20-12-8-10-16-22(20)24(26)14-6-4-2;;;/h2*7-12,15-18,23-24H,3-6,13-14H2,1-2H3;2*1H;/q;;;;+2/p-2