2,3-dimethylcyclopenta-1,3-diene; 2-octylcyclopenta-1,3-diene; titanium(2+); tetrachloride

Systemtic Name: 2,3-dimethylcyclopenta-1,3-diene; 2-octylcyclopenta-1,3-diene; titanium(2+); tetrachloride Openeye Name: 2,3-dimethylcyclopenta-1,3-diene; 2-octylcyclopenta-1,3-diene; titanium(2+); tetrachloride CAS Name: 2,3-dimethylcyclopenta-1,3-diene; 2-octylcyclopenta-1,3-diene; titanium(2+); tetrachloride IUPAC Name: 2,3-dimethylcyclopenta-1,3-diene; 2-octylcyclopenta-1,3-diene; titanium(2+); tetrachloride Traditional Name: 2,3-dimethylcyclopenta-1,3-diene; 2-octylcyclopenta-1,3-diene; titanium(2+); tetrachloride Formula: C40H60Cl4Ti2-4 MolecularWeight: 778.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=[C-]CC=C1.CCCCCCCCC1=[C-]CC=C1.CC1=CC[C-]=C1C.CC1=CC[C-]=C1C.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CCCCCCCCC1=[C-]CC=C1.CCCCCCCCC1=[C-]CC=C1.CC1=CC[C-]=C1C.CC1=CC[C-]=C1C.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C13H21.2C7H9.4ClH.2Ti/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-13;2*1-6-4-3-5-7(6)2;;;;;;/h2*8,11H,2-7,9-10H2,1H3;2*4H,3H2,1-2H3;4*1H;;/q4*-1;;;;;2*+2/p-4