1-[2-ethyl-7-[2-(2-ethyl-1-methanidyl-3-naphthalen-1-yl-1H-inden-4-yl)ethyl]-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)ethyl]-3-methanidyl-3H-inden-1-yl]naphthalene; zirconium(2+) Openeye Name: 1-[2-ethyl-7-[2-[2-ethyl-1-methanidyl-3-(1-naphthyl)-1H-inden-4-yl]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]ethyl]-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)ethyl]-3-methanidyl-3H-inden-1-yl]naphthalene; zirconium(2+) Traditional Name: 1-[2-ethyl-7-[2-[2-ethyl-1-methanidyl-3-(1-naphthyl)-1H-inden-4-yl]ethyl]-3-methanidyl-3H-inden-1-yl]naphthalene; zirconium(2+) Formula: C46H40Zr MolecularWeight: 684.0338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1[CH2-])C=CC=C2CCC3=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=C2CCC3=CC=CC4=C3C(=C(C4[CH2-])CC)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

InChI

InChI=1S/C46H40.Zr/c1-5-35-29(3)37-23-13-19-33(43(37)45(35)41-25-11-17-31-15-7-9-21-39(31)41)27-28-34-20-14-24-38-30(4)36(6-2)46(44(34)38)42-26-12-18-32-16-8-10-22-40(32)42;/h7-26,29-30H,3-6,27-28H2,1-2H3;/q-2;+2