1-tert-butyl-6-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-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-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-(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-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-(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:

CCCCSC1(CC=C(C=C1C(C)(C)C)C)C(C)(C)C2=[C-]CC=C2.CCCCSC1(CC=C(C=C1C(C)(C)C)C)C(C)(C)C2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CCCCSC1(CC=C(C=C1C(C)(C)C)C)C(C)(C)C2=[C-]CC=C2.CCCCSC1(CC=C(C=C1C(C)(C)C)C)C(C)(C)C2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

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