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

Systemtic Name: 1,3-ditert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-propan-2-ylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1,3-ditert-butyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-6-isopropylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1,3-ditert-butyl-6-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]-6-(propan-2-ylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1,3-ditert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-propan-2-ylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1,3-ditert-butyl-6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-6-(isopropylthio)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C50H78Cl2S2Ti2 MolecularWeight: 909.92432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C25H39S.2ClH.2Ti/c2*1-18(2)26-25(24(9,10)19-13-11-12-14-19)16-15-20(22(3,4)5)17-21(25)23(6,7)8;;;;/h2*11,13,15,17-18H,12,16H2,1-10H3;2*1H;;/q2*-1;;;2*+2/p-2