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

Systemtic Name: 6-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-1,3-dimethyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 6-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-1,3-dimethyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 6-(butylthio)-6-(1-cyclopenta-1,4-dienylmethyl)-1,3-dimethylcyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 6-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-1,3-dimethylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 6-(butylthio)-6-(cyclopenta-1,4-dien-1-ylmethyl)-1,3-dimethyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C36H50Cl2S2Ti2 MolecularWeight: 713.5522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1(CC=C(C=C1C)C)CC2=[C-]CC=C2.CCCCSC1(CC=C(C=C1C)C)CC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CCCCSC1(CC=C(C=C1C)C)CC2=[C-]CC=C2.CCCCSC1(CC=C(C=C1C)C)CC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C18H25S.2ClH.2Ti/c2*1-4-5-12-19-18(14-17-8-6-7-9-17)11-10-15(2)13-16(18)3;;;;/h2*6,8,10,13H,4-5,7,11-12,14H2,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2