1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-propylsulfanyl-benzene; titanium(2+); dichloride

Systemtic Name: 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-propylsulfanyl-benzene; titanium(2+); dichloride Openeye Name: 1-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-2-propylsulfanyl-benzene; titanium(2+); dichloride CAS Name: 1-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]-2-(propylthio)benzene; titanium(2+); dichloride IUPAC Name: 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-propylsulfanylbenzene; titanium(2+); dichloride Traditional Name: 1-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-2-(propylthio)benzene; titanium(2+); dichloride Formula: C34H42Cl2S2Ti2 MolecularWeight: 681.46728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H21S.2ClH.2Ti/c2*1-4-13-18-16-12-8-7-11-15(16)17(2,3)14-9-5-6-10-14;;;;/h2*5,7-9,11-12H,4,6,13H2,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2