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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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