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4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide; ethanol; methanidylbenzene; zirconium

4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide; ethanol; methanidylbenzene; zirconium

Systemtic Name:4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide; ethanol; methanidylbenzene; zirconium
Openeye Name:4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide; ethanol; methanidylbenzene; zirconium
CAS Name:4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide; ethanol; methanidylbenzene; zirconium
IUPAC Name:4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide; ethanol; methanidylbenzene; zirconium
Traditional Name:4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide; ethanol; methanidylbenzene; zirconium
Formula: C41H50OZr-4
MolecularWeight: 650.0591
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.C[CH-]O.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]


Isomeric SMILES

CCCCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.C[CH-]O.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]


InChI

InChI=1S/C25H31.2C7H7.C2H5O.Zr/c1-5-6-7-8-10-19-17-21-11-9-12-23(24(21)18-19)20-13-15-22(16-14-20)25(2,3)4;2*1-7-5-3-2-4-6-7;1-2-3;/h9,11-18H,5-8,10H2,1-4H3;2*2-6H,1H2;2-3H,1H3;/q4*-1;


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