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

Systemtic Name: 2-tert-butyl-4-chloranyl-phenol; carbanide; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide Openeye Name: 2-tert-butyl-4-chloro-phenol; carbanide; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide CAS Name: 2-tert-butyl-4-chlorophenol; carbanide; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide IUPAC Name: 2-tert-butyl-4-chlorophenol; carbanide; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide Traditional Name: 2-tert-butyl-4-chloro-phenol; carbanide; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide Formula: C29H34ClO3SiTi-2 MolecularWeight: 541.98396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC(C)(C)C1=C(C=CC(=C1)Cl)O.[CH-]1C=CC=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Si].[Ti+3]

Isomeric SMILES

[CH3-].[CH3-].CC(C)(C)C1=C(C=CC(=C1)Cl)O.[CH-]1C=CC=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Si].[Ti+3]

InChI

InChI=1S/C10H13ClO.2C6H6O.C5H5.2CH3.Si.Ti/c1-10(2,3)8-6-7(11)4-5-9(8)12;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;;;;/h4-6,12H,1-3H3;2*1-5,7H;1-5H;2*1H3;;/q;;;3*-1;;+3/p-2