6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1-methyl-6-methylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride

Systemtic Name: 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1-methyl-6-methylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-1-methyl-6-methylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 6-[2-(1-cyclopenta-1,4-dienyl)propan-2-yl]-1-methyl-6-(methylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1-methyl-6-methylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 6-(1-cyclopenta-1,4-dien-1-yl-1-methyl-ethyl)-1-methyl-6-(methylthio)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C32H42Cl2S2Ti2 MolecularWeight: 657.44588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC.CC1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC.CC1=CC=CCC1(C(C)(C)C2=[C-]CC=C2)SC.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C16H21S.2ClH.2Ti/c2*1-13-9-7-8-12-16(13,17-4)15(2,3)14-10-5-6-11-14;;;;/h2*5,7-10H,6,12H2,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2