2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenehafnium(2+); dichloride

Systemtic Name: 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenehafnium(2+); dichloride Openeye Name: 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenehafnium(2+); dichloride CAS Name: 2-(1-cyclopenta-1,3-dienyl)-1,9-dihydrofluoren-1-ide; 1-phenylethylidenehafnium(2+); dichloride IUPAC Name: 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenehafnium(2+); dichloride Traditional Name: 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenehafnium(2+); dichloride Formula: C52H42Cl2Hf2 MolecularWeight: 1094.77588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Hf+2])C1=CC=CC=C1.CC(=[Hf+2])C1=CC=CC=C1.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Hf+2])C1=CC=CC=C1.CC(=[Hf+2])C1=CC=CC=C1.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.[Cl-].[Cl-]

InChI

InChI=1S/2C18H13.2C8H8.2ClH.2Hf/c2*1-2-6-13(5-1)14-9-10-18-16(11-14)12-15-7-3-4-8-17(15)18;2*1-2-8-6-4-3-5-7-8;;;;/h2*1-5,7-10H,6,12H2;2*3-7H,1H3;2*1H;;/q2*-1;;;;;2*+2/p-2