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

Systemtic Name: 1,3-ditert-butyl-6-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1,3-ditert-butyl-6-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1,3-ditert-butyl-6-(butylthio)-6-(1-cyclopenta-1,4-dienylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1,3-ditert-butyl-6-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1,3-ditert-butyl-6-(butylthio)-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C48H74Cl2S2Ti2 MolecularWeight: 881.87116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H37S.2ClH.2Ti/c2*1-8-9-16-25-24(18-19-12-10-11-13-19)15-14-20(22(2,3)4)17-21(24)23(5,6)7;;;;/h2*10,12,14,17H,8-9,11,15-16,18H2,1-7H3;2*1H;;/q2*-1;;;2*+2/p-2