2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride

Systemtic Name: 2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-[4-(2-naphthyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(2-naphthalenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-[4-(2-naphthyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride Formula: C52H42Cl2S2Zr MolecularWeight: 893.14988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C26H21S.2ClH.Zr/c2*1-2-6-23-13-14-26(27-23)22-16-20-9-5-10-24(25(20)17-22)21-12-11-18-7-3-4-8-19(18)15-21;;;/h2*3-5,7-17H,2,6H2,1H3;2*1H;/q2*-1;;;+4/p-2