2,4-ditert-butylphenolate; 2-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); chloride

Systemtic Name: 2,4-ditert-butylphenolate; 2-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); chloride Openeye Name: 2,4-ditert-butylphenolate; isopropylidenezirconium(2+); 2-methyl-1H-inden-1-ide; chloride CAS Name: 2,4-ditert-butylphenolate; 2-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 2-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); chloride Traditional Name: 2,4-ditert-butylphenolate; isopropylidenezirconium(2+); 2-methyl-1H-inden-1-ide; chloride Formula: C37H45ClOZr-2 MolecularWeight: 632.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC(=[Zr+2])C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-]

Isomeric SMILES

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC(=[Zr+2])C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-]

InChI

InChI=1S/C14H22O.2C10H9.C3H6.ClH.Zr/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;/h7-9,15H,1-6H3;2*2-7H,1H3;1-2H3;1H;/q;2*-1;;;+2/p-2