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

Systemtic Name: 1-tert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(tert-butylthio)-6-(1-cyclopenta-1,4-dienylmethyl)-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(tert-butylthio)-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C42H62Cl2S2Ti2 MolecularWeight: 797.71168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(=C1)C(C)(C)C)(CC2=[C-]CC=C2)SC(C)(C)C.CC1=CCC(C(=C1)C(C)(C)C)(CC2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=CCC(C(=C1)C(C)(C)C)(CC2=[C-]CC=C2)SC(C)(C)C.CC1=CCC(C(=C1)C(C)(C)C)(CC2=[C-]CC=C2)SC(C)(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C21H31S.2ClH.2Ti/c2*1-16-12-13-21(22-20(5,6)7,15-17-10-8-9-11-17)18(14-16)19(2,3)4;;;;/h2*8,10,12,14H,9,13,15H2,1-7H3;2*1H;;/q2*-1;;;2*+2/p-2