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

Systemtic Name: 6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 6-(tert-butylthio)-6-(1-cyclopenta-1,4-dienylmethyl)-1-methylcyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 6-(tert-butylthio)-6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C34H46Cl2S2Ti2 MolecularWeight: 685.49904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CCC1(CC2=[C-]CC=C2)SC(C)(C)C.CC1=CC=CCC1(CC2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=CC=CCC1(CC2=[C-]CC=C2)SC(C)(C)C.CC1=CC=CCC1(CC2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C17H23S.2ClH.2Ti/c2*1-14-9-7-8-12-17(14,18-16(2,3)4)13-15-10-5-6-11-15;;;;/h2*5,7-10H,6,12-13H2,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2