1,3-ditert-butyl-6-cyclopenta-1,4-dien-1-yloxy-6-methoxy-cyclohexa-1,3-diene; titanium(2+); dichloride

Systemtic Name: 1,3-ditert-butyl-6-cyclopenta-1,4-dien-1-yloxy-6-methoxy-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1,3-ditert-butyl-6-cyclopenta-1,4-dien-1-yloxy-6-methoxy-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1,3-ditert-butyl-6-(1-cyclopenta-1,4-dienyloxy)-6-methoxycyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1,3-ditert-butyl-6-cyclopenta-1,4-dien-1-yloxy-6-methoxycyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1,3-ditert-butyl-6-cyclopenta-1,4-dien-1-yloxy-6-methoxy-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C40H58Cl2O4Ti2 MolecularWeight: 769.52612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CCC(C(=C1)C(C)(C)C)(OC)OC2=[C-]CC=C2.CC(C)(C)C1=CCC(C(=C1)C(C)(C)C)(OC)OC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC(C)(C)C1=CCC(C(=C1)C(C)(C)C)(OC)OC2=[C-]CC=C2.CC(C)(C)C1=CCC(C(=C1)C(C)(C)C)(OC)OC2=[C-]CC=C2.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C20H29O2.2ClH.2Ti/c2*1-18(2,3)15-12-13-20(21-7,17(14-15)19(4,5)6)22-16-10-8-9-11-16;;;;/h2*8,10,12,14H,9,13H2,1-7H3;2*1H;;/q2*-1;;;2*+2/p-2