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

Systemtic Name: 1-tert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(tert-butylthio)-6-(1-cyclopenta-1,4-dienylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(tert-butylthio)-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C40H58Cl2S2Ti2 MolecularWeight: 769.65852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CCC1(CC2=[C-]CC=C2)SC(C)(C)C.CC(C)(C)C1=CC=CCC1(CC2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC(C)(C)C1=CC=CCC1(CC2=[C-]CC=C2)SC(C)(C)C.CC(C)(C)C1=CC=CCC1(CC2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C20H29S.2ClH.2Ti/c2*1-18(2,3)17-13-9-10-14-20(17,21-19(4,5)6)15-16-11-7-8-12-16;;;;/h2*7,9-11,13H,8,14-15H2,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2