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

Systemtic Name: 2-methyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Openeye Name: 2-methyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride CAS Name: 2-methyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride IUPAC Name: 2-methyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Traditional Name: 2-methyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Formula: C40H30Cl2S2Zr MolecularWeight: 736.9262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C20H15S.2ClH.Zr/c2*1-14-10-11-20(21-14)17-12-16-8-5-9-18(19(16)13-17)15-6-3-2-4-7-15;;;/h2*2-13H,1H3;2*1H;/q2*-1;;;+4/p-2