3-butyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride

Systemtic Name: 3-butyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride Openeye Name: 3-butyl-1H-inden-1-ide; isopropylidenetitanium(2+); dichloride CAS Name: 3-butyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride IUPAC Name: 3-butyl-1H-inden-1-ide; propan-2-ylidenetitanium(2+); dichloride Traditional Name: 3-butyl-1H-inden-1-ide; isopropylidenetitanium(2+); dichloride Formula: C58H72Cl2Ti2-2 MolecularWeight: 935.83228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[CH-]C2=CC=CC=C21.CCCCC1=C[CH-]C2=CC=CC=C21.CCCCC1=C[CH-]C2=CC=CC=C21.CCCCC1=C[CH-]C2=CC=CC=C21.CC(=[Ti+2])C.CC(=[Ti+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=C[CH-]C2=CC=CC=C21.CCCCC1=C[CH-]C2=CC=CC=C21.CCCCC1=C[CH-]C2=CC=CC=C21.CCCCC1=C[CH-]C2=CC=CC=C21.CC(=[Ti+2])C.CC(=[Ti+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C13H15.2C3H6.2ClH.2Ti/c4*1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;2*1-3-2;;;;/h4*4-5,7-10H,2-3,6H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2