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

Systemtic Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-ethylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-ethylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dienylmethyl)-6-(ethylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-ethylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-(ethylthio)cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C36H50Cl2S2Ti2 MolecularWeight: 713.5522

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(CC=CC=C1C(C)(C)C)CC2=[C-]CC=C2.CCSC1(CC=CC=C1C(C)(C)C)CC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CCSC1(CC=CC=C1C(C)(C)C)CC2=[C-]CC=C2.CCSC1(CC=CC=C1C(C)(C)C)CC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C18H25S.2ClH.2Ti/c2*1-5-19-18(14-15-10-6-7-11-15)13-9-8-12-16(18)17(2,3)4;;;;/h2*6,8-10,12H,5,7,13-14H2,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2