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

Systemtic Name: 1-tert-butyl-6-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)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)cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(butylthio)-6-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)cyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(butylthio)-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C44H66Cl2S2Ti2 MolecularWeight: 825.76484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H33S.2ClH.2Ti/c2*1-7-8-17-23-22(21(5,6)18-13-9-10-14-18)16-12-11-15-19(22)20(2,3)4;;;;/h2*9,11-13,15H,7-8,10,16-17H2,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2