2-butylcyclopenta-1,3-diene; diphenylsilylidenetitanium(2+); dichloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; diphenylsilylidenetitanium(2+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; diphenylsilylidenetitanium(2+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; diphenylsilylidenetitanium(2+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; diphenylsilylidenetitanium(2+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; diphenylsilylidenetitanium(2+); dichloride Formula: C60H72Cl2Si2Ti2-2 MolecularWeight: 1016.02468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC=C(C=C1)[Si](=[Ti+2])C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Ti+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC=C(C=C1)[Si](=[Ti+2])C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Ti+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C12H10Si.4C9H13.2ClH.2Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-2-3-6-9-7-4-5-8-9;;;;/h2*1-10H;4*4,7H,2-3,5-6H2,1H3;2*1H;;/q;;4*-1;;;2*+2/p-2