tris(5,6-dibutyl-2,6-ditert-butyl-cyclohexa-2,4-dien-1-yl) borate

Systemtic Name: tris(5,6-dibutyl-2,6-ditert-butyl-cyclohexa-2,4-dien-1-yl) borate Openeye Name: tris(5,6-dibutyl-2,6-ditert-butyl-cyclohexa-2,4-dien-1-yl) borate CAS Name: tris(5,6-dibutyl-2,6-ditert-butyl-1-cyclohexa-2,4-dienyl) borate IUPAC Name: tris(5,6-dibutyl-2,6-ditert-butylcyclohexa-2,4-dien-1-yl) borate Traditional Name: tris(5,6-dibutyl-2,6-ditert-butyl-cyclohexa-2,4-dien-1-yl) borate Formula: C66H117BO3 MolecularWeight: 969.44438

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Descriptors Computed from Structure

Canonical SMILES:

B(OC1C(=CC=C(C1(CCCC)C(C)(C)C)CCCC)C(C)(C)C)(OC2C(=CC=C(C2(CCCC)C(C)(C)C)CCCC)C(C)(C)C)OC3C(=CC=C(C3(CCCC)C(C)(C)C)CCCC)C(C)(C)C

Isomeric SMILES

B(OC1C(=CC=C(C1(CCCC)C(C)(C)C)CCCC)C(C)(C)C)(OC2C(=CC=C(C2(CCCC)C(C)(C)C)CCCC)C(C)(C)C)OC3C(=CC=C(C3(CCCC)C(C)(C)C)CCCC)C(C)(C)C

InChI

InChI=1S/C66H117BO3/c1-25-31-37-49-40-43-52(58(7,8)9)55(64(49,46-34-28-4)61(16,17)18)68-67(69-56-53(59(10,11)12)44-41-50(38-32-26-2)65(56,47-35-29-5)62(19,20)21)70-57-54(60(13,14)15)45-42-51(39-33-27-3)66(57,48-36-30-6)63(22,23)24/h40-45,55-57H,25-39,46-48H2,1-24H3