1-[2-ethyl-7-[2-(2-ethyl-1-methanidyl-3-naphthalen-1-yl-1H-inden-4-yl)propan-2-yl]-3-methanidyl-3H-inden-1-yl]naphthalene; zirconium(2+)

Systemtic Name: 1-[2-ethyl-7-[2-(2-ethyl-1-methanidyl-3-naphthalen-1-yl-1H-inden-4-yl)propan-2-yl]-3-methanidyl-3H-inden-1-yl]naphthalene; zirconium(2+) Openeye Name: 1-[2-ethyl-7-[1-[2-ethyl-1-methanidyl-3-(1-naphthyl)-1H-inden-4-yl]-1-methyl-ethyl]-3-methanidyl-3H-inden-1-yl]naphthalene; zirconium(2+) CAS Name: 1-[2-ethyl-7-[2-[2-ethyl-1-methanidyl-3-(1-naphthalenyl)-1H-inden-4-yl]propan-2-yl]-3-methanidyl-3H-inden-1-yl]naphthalene; zirconium(2+) IUPAC Name: 1-[2-ethyl-7-[2-(2-ethyl-1-methanidyl-3-naphthalen-1-yl-1H-inden-4-yl)propan-2-yl]-3-methanidyl-3H-inden-1-yl]naphthalene; zirconium(2+) Traditional Name: 1-[2-ethyl-7-[1-[2-ethyl-1-methanidyl-3-(1-naphthyl)-1H-inden-4-yl]-1-methyl-ethyl]-3-methanidyl-3H-inden-1-yl]naphthalene; zirconium(2+) Formula: C47H42Zr MolecularWeight: 698.06038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1[CH2-])C=CC=C2C(C)(C)C3=CC=CC4=C3C(=C(C4[CH2-])CC)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C1[CH2-])C=CC=C2C(C)(C)C3=CC=CC4=C3C(=C(C4[CH2-])CC)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

InChI

InChI=1S/C47H42.Zr/c1-7-33-29(3)35-23-15-27-41(45(35)43(33)39-25-13-19-31-17-9-11-21-37(31)39)47(5,6)42-28-16-24-36-30(4)34(8-2)44(46(36)42)40-26-14-20-32-18-10-12-22-38(32)40;/h9-30H,3-4,7-8H2,1-2,5-6H3;/q-2;+2