(6Z)-2,4-ditert-butyl-6-[[(2-phenylsulfanylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one; tris(chloranyl)titanium

Systemtic Name: (6Z)-2,4-ditert-butyl-6-[[(2-phenylsulfanylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one; tris(chloranyl)titanium Openeye Name: (6Z)-2,4-ditert-butyl-6-[(2-phenylsulfanylanilino)methylene]cyclohexa-2,4-dien-1-one; trichlorotitanium CAS Name: (6Z)-2,4-ditert-butyl-6-[[2-(phenylthio)anilino]methylidene]-1-cyclohexa-2,4-dienone; trichlorotitanium IUPAC Name: (6Z)-2,4-ditert-butyl-6-[(2-phenylsulfanylanilino)methylidene]cyclohexa-2,4-dien-1-one; trichlorotitanium Traditional Name: (6Z)-2,4-ditert-butyl-6-[[2-(phenylthio)anilino]methylene]cyclohexa-2,4-dien-1-one; trichlorotitanium Formula: C27H31Cl3NOSTi MolecularWeight: 571.83214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNC2=CC=CC=C2SC3=CC=CC=C3)C(=O)C(=C1)C(C)(C)C.Cl[Ti](Cl)Cl

Isomeric SMILES

CC(C)(C)C1=C/C(=C/NC2=CC=CC=C2SC3=CC=CC=C3)/C(=O)C(=C1)C(C)(C)C.Cl[Ti](Cl)Cl

InChI

InChI=1S/C27H31NOS.3ClH.Ti/c1-26(2,3)20-16-19(25(29)22(17-20)27(4,5)6)18-28-23-14-10-11-15-24(23)30-21-12-8-7-9-13-21;;;;/h7-18,28H,1-6H3;3*1H;/q;;;;+3/p-3/b19-18-;;;;