bis(chloranyl)titanium; 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-oxidanyl-naphthalen-1-yl)sulfanyl-naphthalen-2-ol; oxolane

Systemtic Name: bis(chloranyl)titanium; 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-oxidanyl-naphthalen-1-yl)sulfanyl-naphthalen-2-ol; oxolane Openeye Name: 3,6-ditert-butyl-1-[(3,6-ditert-butyl-2-hydroxy-1-naphthyl)sulfanyl]naphthalen-2-ol; dichlorotitanium; tetrahydrofuran CAS Name: 3,6-ditert-butyl-1-[(3,6-ditert-butyl-2-hydroxy-1-naphthalenyl)thio]-2-naphthalenol; dichlorotitanium; oxolane IUPAC Name: 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-hydroxynaphthalen-1-yl)sulfanylnaphthalen-2-ol; dichlorotitanium; oxolane Traditional Name: 3,6-ditert-butyl-1-[(3,6-ditert-butyl-2-hydroxy-1-naphthyl)thio]-2-naphthol; dichlorotitanium; tetrahydrofuran Formula: C40H54Cl2O3STi MolecularWeight: 733.69296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=C(C(=C2C=C1)SC3=C4C=CC(=CC4=CC(=C3O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.C1CCOC1.Cl[Ti]Cl

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=C(C(=C2C=C1)SC3=C4C=CC(=CC4=CC(=C3O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.C1CCOC1.Cl[Ti]Cl

InChI

InChI=1S/C36H46O2S.C4H8O.2ClH.Ti/c1-33(2,3)23-13-15-25-21(17-23)19-27(35(7,8)9)29(37)31(25)39-32-26-16-14-24(34(4,5)6)18-22(26)20-28(30(32)38)36(10,11)12;1-2-4-5-3-1;;;/h13-20,37-38H,1-12H3;1-4H2;2*1H;/q;;;;+2/p-2