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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC(C)(C)C.CC1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC(C)(C)C.CC1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

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