3,4-dimethyl-1H-inden-1-ide; methylidenetitanium(2+); dichloride

Systemtic Name: 3,4-dimethyl-1H-inden-1-ide; methylidenetitanium(2+); dichloride Openeye Name: 3,4-dimethyl-1H-inden-1-ide; methylenetitanium(2+); dichloride CAS Name: 3,4-dimethyl-1H-inden-1-ide; methylenetitanium(2+); dichloride IUPAC Name: 3,4-dimethyl-1H-inden-1-ide; methylidenetitanium(2+); dichloride Traditional Name: 3,4-dimethyl-1H-inden-1-ide; methylenetitanium(2+); dichloride Formula: C46H48Cl2Ti2-2 MolecularWeight: 767.51332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C11H11.2CH2.2ClH.2Ti/c4*1-8-4-3-5-10-7-6-9(2)11(8)10;;;;;;/h4*3-7H,1-2H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2