benzene; 2-tert-butyl-4-chloranyl-phenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide

Systemtic Name: benzene; 2-tert-butyl-4-chloranyl-phenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide Openeye Name: benzene; 2-tert-butyl-4-chloro-phenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide CAS Name: benzene; 2-tert-butyl-4-chlorophenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide IUPAC Name: benzene; 2-tert-butyl-4-chlorophenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide Traditional Name: benzene; 2-tert-butyl-4-chloro-phenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide Formula: C40H42ClO3Ti-2 MolecularWeight: 654.07968

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)(C)C1=C(C=CC(=C1)Cl)O.[CH-]1C=CC=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+3]

Isomeric SMILES

C.CC(C)(C)C1=C(C=CC(=C1)Cl)O.[CH-]1C=CC=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+3]

InChI

InChI=1S/C10H13ClO.2C6H6O.2C6H5.C5H5.CH4.Ti/c1-10(2,3)8-6-7(11)4-5-9(8)12;2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;/h4-6,12H,1-3H3;2*1-5,7H;2*1-5H;1-5H;1H4;/q;;;3*-1;;+3/p-2