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Tetrakis[1-[[4-alkyl(C11-C13)phenyl]sulfonyl]-(2S)-pyrrolidinecarboxylate]dirhodium(II)

Catalog Number ACM179162346-1
CAS 179162-34-6
Structure Tetrakis[1-[[4-alkyl(C11-C13)phenyl]sulfonyl]-(2S)-pyrrolidinecarboxylate]dirhodium(II)
Synonyms (2S)-1-(4-Dodecylphenyl)sulfonylpyrrolidine-2-carboxylate;rhodium(2+)
Molecular Weight 1896.2
Molecular Formula C92H144N4O16Rh2S4
Canonical SMILES CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)[O-].[Rh+2].[Rh+2]
InChI InChI=1S/4C23H37NO4S.2Rh/c4*1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)29(27,28)24-19-12-14-22(24)23(25)26;/h4*15-18,22H,2-14,19H2,1H3,(H,25,26);/q;2*+2/p-4/t4*22-;/m0/s1
InChI Key VHPFUKPTIAZHHL-JOECBHQBSA-J
Melting Point 195-200 °C
Purity 98%
Appearance Powder
Exact Mass 1894.75701
Hydrogen Bond Acceptor Count 20
Hydrogen Bond Donor Count 0
Isomeric SMILES CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-].[Rh+2].[Rh+2]
Monoisotopic Mass 1894.75701
Rotatable Bond Count 52
Topological Polar Surface Area 344 Ų

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