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

Systemtic Name: 1,3-ditert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1,3-ditert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1,3-ditert-butyl-6-(tert-butylthio)-6-(1-cyclopenta-1,4-dienylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1,3-ditert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1,3-ditert-butyl-6-(tert-butylthio)-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C48H74Cl2S2Ti2 MolecularWeight: 881.87116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H37S.2ClH.2Ti/c2*1-21(2,3)19-14-15-24(25-23(7,8)9,17-18-12-10-11-13-18)20(16-19)22(4,5)6;;;;/h2*10,12,14,16H,11,15,17H2,1-9H3;2*1H;;/q2*-1;;;2*+2/p-2