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Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl]-, (.+-.)-
SpectraBase Compound ID CGuEBuaF7Cw
InChI InChI=1S/C16H17NO6S2/c1-11-4-6-12(7-5-11)25(21,22)17-24(3,20)13-8-9-14(16(18)19)15(10-13)23-2/h4-10H,1-3H3,(H,18,19)
InChIKey UEJVFAVKUNFVGU-UHFFFAOYSA-N
Mol Weight 383.43 g/mol
Molecular Formula C16H17NO6S2
Exact Mass 383.04973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXyf6jk0Rt
Name Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl]-, (.+-.)-
CAS Registry Number 114916-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO6S2
InChI InChI=1S/C16H17NO6S2/c1-11-4-6-12(7-5-11)25(21,22)17-24(3,20)13-8-9-14(16(18)19)15(10-13)23-2/h4-10H,1-3H3,(H,18,19)
InChIKey UEJVFAVKUNFVGU-UHFFFAOYSA-N
Molecular Weight 383.433 g/mol
SMILES OC(c1ccc(S(=NS(c2ccc(cc2)C)(=O)=O)(=O)C)cc1OC)=O
SPLASH splash10-000f-7914000000-06d05a8e960dd77fe787
Source of Spectrum F-43-4545-4
Synonyms (+)-2-Methoxy-4-(s-methyl-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl)-benzoic acid 2-Methoxy-4-{methyl[(4-methylphenyl)sulfonyl]sulfonimidoyl}benzoic acid
Wiley ID 1360970