3-tert-butyl-5,6-dimethyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride

Systemtic Name: 3-tert-butyl-5,6-dimethyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Openeye Name: 3-tert-butyl-5,6-dimethyl-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: 3-tert-butyl-5,6-dimethyl-1H-inden-1-ide; methylenezirconium(2+); dichloride IUPAC Name: 3-tert-butyl-5,6-dimethyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Traditional Name: 3-tert-butyl-5,6-dimethyl-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C62H80Cl2Zr2-2 MolecularWeight: 1078.6526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)[CH-]C=C2C(C)(C)C)C.CC1=C(C=C2C(=C1)[CH-]C=C2C(C)(C)C)C.CC1=C(C=C2C(=C1)[CH-]C=C2C(C)(C)C)C.CC1=C(C=C2C(=C1)[CH-]C=C2C(C)(C)C)C.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=C2C(=C1)[CH-]C=C2C(C)(C)C)C.CC1=C(C=C2C(=C1)[CH-]C=C2C(C)(C)C)C.CC1=C(C=C2C(=C1)[CH-]C=C2C(C)(C)C)C.CC1=C(C=C2C(=C1)[CH-]C=C2C(C)(C)C)C.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C15H19.2CH2.2ClH.2Zr/c4*1-10-8-12-6-7-14(15(3,4)5)13(12)9-11(10)2;;;;;;/h4*6-9H,1-5H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2