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

Systemtic Name: 6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-1,3-dimethyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-1,3-dimethyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 6-(tert-butylthio)-6-(1-cyclopenta-1,4-dienylmethyl)-1,3-dimethylcyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-1,3-dimethylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 6-(tert-butylthio)-6-(cyclopenta-1,4-dien-1-ylmethyl)-1,3-dimethyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C36H50Cl2S2Ti2 MolecularWeight: 713.5522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(=C1)C)(CC2=[C-]CC=C2)SC(C)(C)C.CC1=CCC(C(=C1)C)(CC2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=CCC(C(=C1)C)(CC2=[C-]CC=C2)SC(C)(C)C.CC1=CCC(C(=C1)C)(CC2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C18H25S.2ClH.2Ti/c2*1-14-10-11-18(15(2)12-14,19-17(3,4)5)13-16-8-6-7-9-16;;;;/h2*6,8,10,12H,7,11,13H2,1-5H3;2*1H;;/q2*-1;;;2*+2/p-2