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

Systemtic Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-6-propylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-6-propylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dienylmethyl)-3-methyl-6-(propylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-6-propylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-6-(propylthio)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C40H58Cl2S2Ti2 MolecularWeight: 769.65852

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1(CC=C(C=C1C(C)(C)C)C)CC2=[C-]CC=C2.CCCSC1(CC=C(C=C1C(C)(C)C)C)CC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CCCSC1(CC=C(C=C1C(C)(C)C)C)CC2=[C-]CC=C2.CCCSC1(CC=C(C=C1C(C)(C)C)C)CC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

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