1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride

Systemtic Name: 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-6-ethoxy-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]-6-ethoxy-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-6-ethoxy-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C42H62Cl2O2Ti2 MolecularWeight: 765.58048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CC=C(C=C1C(C)(C)C)C)C(C)(C)C2=[C-]CC=C2.CCOC1(CC=C(C=C1C(C)(C)C)C)C(C)(C)C2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CCOC1(CC=C(C=C1C(C)(C)C)C)C(C)(C)C2=[C-]CC=C2.CCOC1(CC=C(C=C1C(C)(C)C)C)C(C)(C)C2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C21H31O.2ClH.2Ti/c2*1-8-22-21(20(6,7)17-11-9-10-12-17)14-13-16(2)15-18(21)19(3,4)5;;;;/h2*9,11,13,15H,8,10,14H2,1-7H3;2*1H;;/q2*-1;;;2*+2/p-2