2,5-dimethyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride

Systemtic Name: 2,5-dimethyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride Openeye Name: 2,5-dimethyl-1H-inden-1-ide; isopropylidenetitanium(2+); dichloride CAS Name: 2,5-dimethyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride IUPAC Name: 2,5-dimethyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride Traditional Name: 2,5-dimethyl-1H-inden-1-ide; isopropylidenetitanium(2+); dichloride Formula: C50H56Cl2Ti2-2 MolecularWeight: 823.61964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C11H11.2C3H6.2ClH.2Ti/c4*1-8-3-4-10-6-9(2)7-11(10)5-8;2*1-3-2;;;;/h4*3-7H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2