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

Systemtic Name: 1-tert-butyl-6-tert-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-tert-butylsulfanyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(tert-butylthio)-6-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-tert-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(tert-butylthio)-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C46H70Cl2S2Ti2 MolecularWeight: 853.818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(=C1)C(C)(C)C)(C(C)(C)C2=[C-]CC=C2)SC(C)(C)C.CC1=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

CC1=CCC(C(=C1)C(C)(C)C)(C(C)(C)C2=[C-]CC=C2)SC(C)(C)C.CC1=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/2C23H35S.2ClH.2Ti/c2*1-17-14-15-23(24-21(5,6)7,19(16-17)20(2,3)4)22(8,9)18-12-10-11-13-18;;;;/h2*10,12,14,16H,11,15H2,1-9H3;2*1H;;/q2*-1;;;2*+2/p-2