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

Systemtic Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methyl-thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methylthiophene; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methylthiophene; zirconium(4+); dichloride Traditional Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methyl-thiophene; zirconium(4+); dichloride Formula: C52H54Cl2S2Zr MolecularWeight: 905.24516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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