methylidenetitanium(2+); 2-methyl-5-phenyl-1H-inden-1-ide; dichloride

Systemtic Name: methylidenetitanium(2+); 2-methyl-5-phenyl-1H-inden-1-ide; dichloride Openeye Name: methylenetitanium(2+); 2-methyl-5-phenyl-1H-inden-1-ide; dichloride CAS Name: methylenetitanium(2+); 2-methyl-5-phenyl-1H-inden-1-ide; dichloride IUPAC Name: methylidenetitanium(2+); 2-methyl-5-phenyl-1H-inden-1-ide; dichloride Traditional Name: methylenetitanium(2+); 2-methyl-5-phenyl-1H-inden-1-ide; dichloride Formula: C66H56Cl2Ti2-2 MolecularWeight: 1015.79084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC(=C2)C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC(=C2)C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC(=C2)C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC(=C2)C3=CC=CC=C3.C=[Ti+2].C=[Ti+2].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC(=C2)C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC(=C2)C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC(=C2)C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC(=C2)C3=CC=CC=C3.C=[Ti+2].C=[Ti+2].[Cl-].[Cl-]

InChI

InChI=1S/4C16H13.2CH2.2ClH.2Ti/c4*1-12-9-14-7-8-15(11-16(14)10-12)13-5-3-2-4-6-13;;;;;;/h4*2-11H,1H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2