1,3-ditert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-propylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride

Systemtic Name: 1,3-ditert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-propylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1,3-ditert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-propylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1,3-ditert-butyl-6-(1-cyclopenta-1,4-dienylmethyl)-6-(propylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1,3-ditert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-propylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1,3-ditert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-(propylthio)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C46H70Cl2S2Ti2 MolecularWeight: 853.818

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1(CC=C(C=C1C(C)(C)C)C(C)(C)C)CC2=[C-]CC=C2.CCCSC1(CC=C(C=C1C(C)(C)C)C(C)(C)C)CC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CCCSC1(CC=C(C=C1C(C)(C)C)C(C)(C)C)CC2=[C-]CC=C2.CCCSC1(CC=C(C=C1C(C)(C)C)C(C)(C)C)CC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C23H35S.2ClH.2Ti/c2*1-8-15-24-23(17-18-11-9-10-12-18)14-13-19(21(2,3)4)16-20(23)22(5,6)7;;;;/h2*9,11,13,16H,8,10,14-15,17H2,1-7H3;2*1H;;/q2*-1;;;2*+2/p-2