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

Systemtic Name: 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-propylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-6-propylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]-6-(propylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-propylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-6-(propylthio)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C42H62Cl2S2Ti2 MolecularWeight: 797.71168

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1(CC=CC=C1C(C)(C)C)C(C)(C)C2=[C-]CC=C2.CCCSC1(CC=CC=C1C(C)(C)C)C(C)(C)C2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CCCSC1(CC=CC=C1C(C)(C)C)C(C)(C)C2=[C-]CC=C2.CCCSC1(CC=CC=C1C(C)(C)C)C(C)(C)C2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C21H31S.2ClH.2Ti/c2*1-7-16-22-21(20(5,6)17-12-8-9-13-17)15-11-10-14-18(21)19(2,3)4;;;;/h2*8,10-12,14H,7,9,15-16H2,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2