5,6-dimethoxy-1H-inden-1-ide; titanium(2+); dichloride

Systemtic Name: 5,6-dimethoxy-1H-inden-1-ide; titanium(2+); dichloride Openeye Name: 5,6-dimethoxy-1H-inden-1-ide; titanium(2+); dichloride CAS Name: 5,6-dimethoxy-1H-inden-1-ide; titanium(2+); dichloride IUPAC Name: 5,6-dimethoxy-1H-inden-1-ide; titanium(2+); dichloride Traditional Name: 5,6-dimethoxy-1H-inden-1-ide; titanium(2+); dichloride Formula: C44H44Cl2O8Ti2-2 MolecularWeight: 867.45536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C[CH-]C2=C1)OC.COC1=C(C=C2C=C[CH-]C2=C1)OC.COC1=C(C=C2C=C[CH-]C2=C1)OC.COC1=C(C=C2C=C[CH-]C2=C1)OC.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

COC1=C(C=C2C=C[CH-]C2=C1)OC.COC1=C(C=C2C=C[CH-]C2=C1)OC.COC1=C(C=C2C=C[CH-]C2=C1)OC.COC1=C(C=C2C=C[CH-]C2=C1)OC.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/4C11H11O2.2ClH.2Ti/c4*1-12-10-6-8-4-3-5-9(8)7-11(10)13-2;;;;/h4*3-7H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2