benzene; 2-tert-butyl-4-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; methylidenetitanium; dichloride

Systemtic Name: benzene; 2-tert-butyl-4-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; methylidenetitanium; dichloride Openeye Name: benzene; 2-tert-butyl-4-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; methylenetitanium; dichloride CAS Name: benzene; 2-tert-butyl-4-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; methylenetitanium; dichloride IUPAC Name: benzene; 2-tert-butyl-4-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; methylidenetitanium; dichloride Traditional Name: benzene; 2-tert-butyl-4-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; methylenetitanium; dichloride Formula: C32H38Cl3OTi-5 MolecularWeight: 592.86952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=C(C=CC(=C1)Cl)O.C=[Ti].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=C(C=CC(=C1)Cl)O.C=[Ti].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Cl-].[Cl-]

InChI

InChI=1S/C10H13ClO.C9H13.2C6H5.CH2.2ClH.Ti/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-9(2,3)8-6-4-5-7-8;2*1-2-4-6-5-3-1;;;;/h4-6,12H,1-3H3;4,6H,5H2,1-3H3;2*1-5H;1H2;2*1H;/q;3*-1;;;;/p-2