2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-propyl-5-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-propyl-5-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Formula: C52H54Cl2S2Zr MolecularWeight: 905.24516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)CC.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)CC.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C26H27S.2ClH.Zr/c2*1-4-7-23-14-15-26(27-23)22-16-21-8-6-9-24(25(21)17-22)20-12-10-19(11-13-20)18(3)5-2;;;/h2*6,8-18H,4-5,7H2,1-3H3;2*1H;/q2*-1;;;+4/p-2