2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride

Systemtic Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride CAS Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Formula: C54H58Cl2S2Zr MolecularWeight: 933.29832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C27H29S.2ClH.Zr/c2*1-3-5-6-7-9-20-12-14-21(15-13-20)25-11-8-10-22-18-23(19-26(22)25)27-17-16-24(4-2)28-27;;;/h2*8,10-19H,3-7,9H2,1-2H3;2*1H;/q2*-1;;;+4/p-2