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2-(4-Methyl-2-nitro-benzenesulfonyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
SpectraBase Compound ID 2RgesWokVdi
InChI InChI=1S/C17H12N2O6S2/c1-11-8-9-15(14(10-11)18(20)21)26(22,23)19-13-6-2-4-12-5-3-7-16(17(12)13)27(19,24)25/h2-10H,1H3
InChIKey ZCZOUOOMSORCRW-UHFFFAOYSA-N
Mol Weight 404.41 g/mol
Molecular Formula C17H12N2O6S2
Exact Mass 404.013678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fCtcTiKYaQ
Name 2-(4-Methyl-2-nitro-benzenesulfonyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
Alternate Name(s) 2-[(4-methyl-2-nitrophenyl)sulfonyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N2O6S2
InChI InChI=1S/C17H12N2O6S2/c1-11-8-9-15(14(10-11)18(20)21)26(22,23)19-13-6-2-4-12-5-3-7-16(17(12)13)27(19,24)25/h2-10H,1H3
InChIKey ZCZOUOOMSORCRW-UHFFFAOYSA-N
Molecular Weight 404.411 g/mol
SMILES Cc1ccc(S(N2S(c3cccc4c3c2ccc4)(=O)=O)(=O)=O)c(N(=O)=O)c1
SPLASH splash10-0udi-2490000000-0e6be209affa1d0da6b0
Wiley ID 1454512