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

Systemtic Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-methoxy-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-methoxy-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 1-tert-butyl-6-(1-cyclopenta-1,4-dienylmethyl)-6-methoxy-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-methoxy-3-methylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-methoxy-3-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C36H50Cl2O2Ti2 MolecularWeight: 681.421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(=C1)C(C)(C)C)(CC2=[C-]CC=C2)OC.CC1=CCC(C(=C1)C(C)(C)C)(CC2=[C-]CC=C2)OC.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=CCC(C(=C1)C(C)(C)C)(CC2=[C-]CC=C2)OC.CC1=CCC(C(=C1)C(C)(C)C)(CC2=[C-]CC=C2)OC.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C18H25O.2ClH.2Ti/c2*1-14-10-11-18(19-5,13-15-8-6-7-9-15)16(12-14)17(2,3)4;;;;/h2*6,8,10,12H,7,11,13H2,1-5H3;2*1H;;/q2*-1;;;2*+2/p-2