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Sulfoximine, S,S'-[oxybis(2,1-ethanediyloxy-2,1-phenylene)]bis[S-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]-, [S-(R*,R*)]-
SpectraBase Compound ID KQsuFaK5ooC
InChI InChI=1S/C44H44N2O9S4/c1-33-13-21-37(22-14-33)56(47,45-58(49,50)39-25-17-35(3)18-26-39)43-11-7-5-9-41(43)54-31-29-53-30-32-55-42-10-6-8-12-44(42)57(48,38-23-15-34(2)16-24-38)46-59(51,52)40-27-19-36(4)20-28-40/h5-28H,29-32H2,1-4H3/t56-,57-/m1/s1
InChIKey KCKLOZGVAZNZEZ-WRZFLEQSSA-N
Mol Weight 873.1 g/mol
Molecular Formula C44H44N2O9S4
Exact Mass 872.192966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELdxU8UVppC
Name Sulfoximine, S,S'-[oxybis(2,1-ethanediyloxy-2,1-phenylene)]bis[S-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]-, [S-(R*,R*)]-
Alternate Name(s) 1,5-bis[2-(S-tosylimino-S-p-tolylsulfonyl)phenoxy]-3-oxapentane
CAS Registry Number 113344-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H44N2O9S4
InChI InChI=1S/C44H44N2O9S4/c1-33-13-21-37(22-14-33)56(47,45-58(49,50)39-25-17-35(3)18-26-39)43-11-7-5-9-41(43)54-31-29-53-30-32-55-42-10-6-8-12-44(42)57(48,38-23-15-34(2)16-24-38)46-59(51,52)40-27-19-36(4)20-28-40/h5-28H,29-32H2,1-4H3/t56-,57-/m1/s1
InChIKey KCKLOZGVAZNZEZ-WRZFLEQSSA-N
Molecular Weight 873.081 g/mol
SMILES c1(S(N=[S@](c2c(OCCOCCOc3c([S@@](=NS(c4ccc(cc4)C)(=O)=O)(c4ccc(cc4)C)=O)cccc3)cccc2)(c2ccc(cc2)C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9000000000-1ff196eb19d671a8f2ce
Source of Spectrum B-40-71-4
Wiley ID 1417844