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

Systemtic Name: 1-tert-butyl-6-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(butylthio)-6-(1-cyclopenta-1,4-dienylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(butylthio)-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C40H58Cl2S2Ti2 MolecularWeight: 769.65852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H29S.2ClH.2Ti/c2*1-5-6-15-21-20(16-17-11-7-8-12-17)14-10-9-13-18(20)19(2,3)4;;;;/h2*7,9-11,13H,5-6,8,14-16H2,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2