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

Systemtic Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-6-propan-2-ylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-isopropylsulfanyl-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dienylmethyl)-3-methyl-6-(propan-2-ylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-6-propan-2-ylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-(isopropylthio)-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C40H58Cl2S2Ti2 MolecularWeight: 769.65852

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

InChI

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