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

Systemtic Name: 6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-6-methylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-6-methylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 6-(1-cyclopenta-1,4-dienylmethyl)-1-methyl-6-(methylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-6-methylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-6-(methylthio)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C28H34Cl2S2Ti2 MolecularWeight: 601.33956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H17S.2ClH.2Ti/c2*1-12-7-5-6-10-14(12,15-2)11-13-8-3-4-9-13;;;;/h2*3,5-8H,4,10-11H2,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2