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

Systemtic Name: 1-butylsulfanyl-2-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)benzene; titanium(2+); dichloride Openeye Name: 1-butylsulfanyl-2-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)benzene; titanium(2+); dichloride CAS Name: 1-(butylthio)-2-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]benzene; titanium(2+); dichloride IUPAC Name: 1-butylsulfanyl-2-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)benzene; titanium(2+); dichloride Traditional Name: 1-(butylthio)-2-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)benzene; titanium(2+); dichloride Formula: C36H46Cl2S2Ti2 MolecularWeight: 709.52044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1C(C)(C)C2=[C-]CC=C2.CCCCSC1=CC=CC=C1C(C)(C)C2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CCCCSC1=CC=CC=C1C(C)(C)C2=[C-]CC=C2.CCCCSC1=CC=CC=C1C(C)(C)C2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C18H23S.2ClH.2Ti/c2*1-4-5-14-19-17-13-9-8-12-16(17)18(2,3)15-10-6-7-11-15;;;;/h2*6,8-10,12-13H,4-5,7,14H2,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2