3-butyl-1H-inden-1-ide; (diphenylmethylidene)titanium(2+); dichloride

Systemtic Name: 3-butyl-1H-inden-1-ide; (diphenylmethylidene)titanium(2+); dichloride Openeye Name: benzhydrylidenetitanium(2+); 3-butyl-1H-inden-1-ide; dichloride CAS Name: 3-butyl-1H-inden-1-ide; (diphenylmethylene)titanium(2+); dichloride IUPAC Name: benzhydrylidenetitanium(2+); 3-butyl-1H-inden-1-ide; dichloride Traditional Name: benzhydrylidenetitanium(2+); 3-butyl-1H-inden-1-ide; dichloride Formula: C78H80Cl2Ti2-2 MolecularWeight: 1184.1098

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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.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.[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.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C13H10.4C13H15.2ClH.2Ti/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;4*1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;;;;/h2*1-10H;4*4-5,7-10H,2-3,6H2,1H3;2*1H;;/q;;4*-1;;;2*+2/p-2