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2,4-dimethyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride

2,4-dimethyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride

Systemtic Name:2,4-dimethyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride
Openeye Name:2,4-dimethyl-1H-inden-1-ide; isopropylidenetitanium(2+); dichloride
CAS Name:2,4-dimethyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride
IUPAC Name:2,4-dimethyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride
Traditional Name:2,4-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=C2C.CC1=CC2=C([CH-]1)C=CC=C2C.CC1=CC2=C([CH-]1)C=CC=C2C.CC1=CC2=C([CH-]1)C=CC=C2C.CC(=[Ti+2])C.CC(=[Ti+2])C.[Cl-].[Cl-]


Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C.CC1=CC2=C([CH-]1)C=CC=C2C.CC1=CC2=C([CH-]1)C=CC=C2C.CC1=CC2=C([CH-]1)C=CC=C2C.CC(=[Ti+2])C.CC(=[Ti+2])C.[Cl-].[Cl-]


InChI

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


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