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(E,E,E)-1,6,1,16-Tetrakis[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-trienepalladium(0)
SpectraBase Compound ID IPZht5HkTOL
InChI InChI=1S/C57H87N3O6S3.Pd/c1-37(2)46-31-49(40(7)8)55(50(32-46)41(9)10)67(61,62)58-25-19-21-27-59(68(63,64)56-51(42(11)12)33-47(38(3)4)34-52(56)43(13)14)29-23-24-30-60(28-22-20-26-58)69(65,66)57-53(44(15)16)35-48(39(5)6)36-54(57)45(17)18;/h19-24,31-45H,25-30H2,1-18H3;
InChIKey GWAGOTGAAXEOOC-UHFFFAOYSA-N
Mol Weight 1112.9 g/mol
Molecular Formula C57H87N3O6PdS3
Exact Mass 1111.479181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETgQ2onT15f
Name (E,E,E)-1,6,1,16-Tetrakis[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-trienepalladium(0)
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Formula C57H87N3O6PdS3
InChI InChI=1S/C57H87N3O6S3.Pd/c1-37(2)46-31-49(40(7)8)55(50(32-46)41(9)10)67(61,62)58-25-19-21-27-59(68(63,64)56-51(42(11)12)33-47(38(3)4)34-52(56)43(13)14)29-23-24-30-60(28-22-20-26-58)69(65,66)57-53(44(15)16)35-48(39(5)6)36-54(57)45(17)18;/h19-24,31-45H,25-30H2,1-18H3;
InChIKey GWAGOTGAAXEOOC-UHFFFAOYSA-N
Molecular Weight 1112.939 g/mol
SMILES C12[Pd]3456C(CN(C1)S(c1c(cc(cc1C(C)C)C(C)C)C(C)C)(=O)=O)C6CN(S(c1c(cc(cc1C(C)C)C(C)C)C(C)C)(=O)=O)CC4C5CN(S(c1c(cc(cc1C(C)C)C(C)C)C(C)C)(=O)=O)CC23
SPLASH splash10-0006-9220200000-132bb0c1438c5f8a39f4
Source of Spectrum F-54-14898-15
Synonyms 4,9,14-tris({[2,4,6-tris(propan-2-yl)benzene]sulfonyl})-4,9,14-triaza-1-palladahexacyclo[9.5.0.0(1,6).0(1,7).0(1,12).0(2,16)]hexadecane
Wiley ID 809767