1,3-ditert-butyl-6-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-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-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-(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-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-(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:

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

InChI

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