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2-Hydroxy-5-[(C-phenyl-N-tosyl-carbonimidoyl)amino]benzoic acid
SpectraBase Compound ID 3PQ8iRtGyrS
InChI InChI=1S/C21H18N2O5S/c1-14-7-10-17(11-8-14)29(27,28)23-20(15-5-3-2-4-6-15)22-16-9-12-19(24)18(13-16)21(25)26/h2-13,24H,1H3,(H,22,23)(H,25,26)
InChIKey UCCKADKQVQEAFZ-UHFFFAOYSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzCX8UptqzT
Name 2-Hydroxy-5-[(C-phenyl-N-tosyl-carbonimidoyl)amino]benzoic acid
Alternate Name(s) 2-Hydroxy-5-[[(4-methylphenyl)sulfonylimino-phenylmethyl]amino]benzoic acid 2-Hydroxy-5-[[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]amino]benzoic acid 2-Hydroxy-5-[[(E)-C-phenyl-N-tosyl-carbonimidoyl]amino]benzoic acid 2-Hydroxy-5-[[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid 2-Hydroxy-5-[[(Z)-(4-methylphenyl)sulfonylimino-phenylmethyl]amino]benzoic acid 2-Hydroxy-5-[[(Z)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]amino]benzoic acid 2-Hydroxy-5-[[(Z)-C-phenyl-N-tosyl-carbonimidoyl]amino]benzoic acid 2-Hydroxy-5-[[(Z)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid 2-Hydroxy-5-[[C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]amino]benzoic acid 2-Hydroxy-5-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid 2-Hydroxy-5-{[(E)-{[(4-methylphenyl)sulfonyl]imino}(phenyl)methyl]amino}benzoic acid 5-[[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-2-oxidanyl-benzoic acid 5-[[(Z)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-2-oxidanyl-benzoic acid 5-[[N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-2-oxidanyl-benzoic acid
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Formula C21H18N2O5S
InChI InChI=1S/C21H18N2O5S/c1-14-7-10-17(11-8-14)29(27,28)23-20(15-5-3-2-4-6-15)22-16-9-12-19(24)18(13-16)21(25)26/h2-13,24H,1H3,(H,22,23)(H,25,26)
InChIKey UCCKADKQVQEAFZ-UHFFFAOYSA-N
Molecular Weight 410.444 g/mol
SMILES N(\C(=N\S(c1ccc(cc1)C)(=O)=O)c1ccccc1)c1ccc(c(c1)C(=O)O)O
SPLASH splash10-0006-9500000000-250a2e0c4f0fff6b0072
Wiley ID 1464074