propan-2-ylidenetitanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride

Systemtic Name: propan-2-ylidenetitanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride Openeye Name: isopropylidenetitanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride CAS Name: propan-2-ylidenetitanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride IUPAC Name: propan-2-ylidenetitanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride Traditional Name: isopropylidenetitanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride Formula: C54H64Cl2Ti2-2 MolecularWeight: 879.72596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C12H13.2C3H6.2ClH.2Ti/c4*1-8-4-5-11-7-9(2)10(3)12(11)6-8;2*1-3-2;;;;/h4*4-7H,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2