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

Systemtic Name: 1,3-ditert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-propan-2-ylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1,3-ditert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-isopropylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1,3-ditert-butyl-6-(1-cyclopenta-1,4-dienylmethyl)-6-(propan-2-ylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1,3-ditert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-propan-2-ylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1,3-ditert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-(isopropylthio)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C46H70Cl2S2Ti2 MolecularWeight: 853.818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1(CC=C(C=C1C(C)(C)C)C(C)(C)C)CC2=[C-]CC=C2.CC(C)SC1(CC=C(C=C1C(C)(C)C)C(C)(C)C)CC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC(C)SC1(CC=C(C=C1C(C)(C)C)C(C)(C)C)CC2=[C-]CC=C2.CC(C)SC1(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*1-17(2)24-23(16-18-11-9-10-12-18)14-13-19(21(3,4)5)15-20(23)22(6,7)8;;;;/h2*9,11,13,15,17H,10,14,16H2,1-8H3;2*1H;;/q2*-1;;;2*+2/p-2