3-methyl-4-phenyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride

Systemtic Name: 3-methyl-4-phenyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride Openeye Name: isopropylidenetitanium(2+); 3-methyl-4-phenyl-1H-inden-1-ide; dichloride CAS Name: 3-methyl-4-phenyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride IUPAC Name: 3-methyl-4-phenyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride Traditional Name: isopropylidenetitanium(2+); 3-methyl-4-phenyl-1H-inden-1-ide; dichloride Formula: C70H64Cl2Ti2-2 MolecularWeight: 1071.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC(=[Ti+2])C.CC(=[Ti+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC(=[Ti+2])C.CC(=[Ti+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C16H13.2C3H6.2ClH.2Ti/c4*1-12-10-11-14-8-5-9-15(16(12)14)13-6-3-2-4-7-13;2*1-3-2;;;;/h4*2-11H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2