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

Systemtic Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(2+); dichloride Openeye Name: 1H-inden-1-ide; isopropylidenetitanium(2+); 2-methylcyclopenta-1,3-diene; dichloride CAS Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(2+); dichloride IUPAC Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(2+); dichloride Traditional Name: 1H-inden-1-ide; isopropylidenetitanium(2+); 2-methylcyclopenta-1,3-diene; dichloride Formula: C36H40Cl2Ti2-2 MolecularWeight: 639.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1.CC1=CC[C-]=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

CC1=CC[C-]=C1.CC1=CC[C-]=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/2C9H7.2C6H7.2C3H6.2ClH.2Ti/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-6-4-2-3-5-6;2*1-3-2;;;;/h2*1-7H;2*4-5H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2