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

Systemtic Name: 1,3-ditert-butyl-6-tert-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1,3-ditert-butyl-6-tert-butylsulfanyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1,3-ditert-butyl-6-(tert-butylthio)-6-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1,3-ditert-butyl-6-tert-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)cyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1,3-ditert-butyl-6-(tert-butylthio)-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C52H82Cl2S2Ti2 MolecularWeight: 937.97748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C26H41S.2ClH.2Ti/c2*1-22(2,3)20-16-17-26(27-24(7,8)9,21(18-20)23(4,5)6)25(10,11)19-14-12-13-15-19;;;;/h2*12,14,16,18H,13,17H2,1-11H3;2*1H;;/q2*-1;;;2*+2/p-2