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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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