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

Systemtic Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-ethylsulfanyl-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-ethylsulfanyl-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dienylmethyl)-6-(ethylthio)-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-ethylsulfanyl-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-(ethylthio)-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C38H54Cl2S2Ti2 MolecularWeight: 741.60536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H27S.2ClH.2Ti/c2*1-6-20-19(14-16-9-7-8-10-16)12-11-15(2)13-17(19)18(3,4)5;;;;/h2*7,9,11,13H,6,8,12,14H2,1-5H3;2*1H;;/q2*-1;;;2*+2/p-2