cyclopenta-1,3-diene; 1H-inden-1-ide; methylidenetitanium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylidenetitanium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylenetitanium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylenetitanium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylidenetitanium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylenetitanium(2+); dichloride Formula: C30H28Cl2Ti2-2 MolecularWeight: 555.18332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=[Ti+2].C=[Ti+2].C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

C=[Ti+2].C=[Ti+2].C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/2C9H7.2C5H5.2CH2.2ClH.2Ti/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-5-3-1;;;;;;/h2*1-7H;2*1-3H,4H2;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2