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

Systemtic Name: 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-methylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-6-methylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]-6-(methylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-methylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-6-(methylthio)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C38H54Cl2S2Ti2 MolecularWeight: 741.60536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC.CC(C)(C)C1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC(C)(C)C1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC.CC(C)(C)C1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C19H27S.2ClH.2Ti/c2*1-17(2,3)16-13-9-10-14-19(16,20-6)18(4,5)15-11-7-8-12-15;;;;/h2*7,9-11,13H,8,14H2,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2