2-butylcyclopenta-1,3-diene; 1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; 1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; 1H-inden-1-ide; isopropylidenetitanium(2+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; 1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; 1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; 1H-inden-1-ide; isopropylidenetitanium(2+); dichloride Formula: C42H52Cl2Ti2-2 MolecularWeight: 723.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CC(=[Ti+2])C.CC(=[Ti+2])C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CC(=[Ti+2])C.CC(=[Ti+2])C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/2C9H7.2C9H13.2C3H6.2ClH.2Ti/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-3-6-9-7-4-5-8-9;2*1-3-2;;;;/h2*1-7H;2*4,7H,2-3,5-6H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2