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Benzoic acid, 4-(6-nitro-benzoisithiazol-3-yloxy)-, methyl ester S,S-dioxide
SpectraBase Compound ID DxCqk1IAYiL
InChI InChI=1S/C15H10N2O7S/c1-23-15(18)9-2-5-11(6-3-9)24-14-12-7-4-10(17(19)20)8-13(12)25(21,22)16-14/h2-8H,1H3
InChIKey XBMDKLNCMLIFDU-UHFFFAOYSA-N
Mol Weight 362.31 g/mol
Molecular Formula C15H10N2O7S
Exact Mass 362.020872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkRaGM9V8SR
Name Benzoic acid, 4-(6-nitro-benzoisithiazol-3-yloxy)-, methyl ester S,S-dioxide
Alternate Name(s) 4-[(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)oxy]benzoic acid methyl ester 4-[(6-nitro-1,1-dioxo-1,2-benzothiazol-3-yl)oxy]benzoic acid methyl ester Methyl 4-[(6-nitro-1,1-dioxido-1,2-benzisothiazol-3-yl)oxy]benzoate Methyl 4-[(6-nitro-1,1-dioxo-1,2-benzothiazol-3-yl)oxy]benzoate Methyl 4-[[6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]oxy]benzoate
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Formula C15H10N2O7S
InChI InChI=1S/C15H10N2O7S/c1-23-15(18)9-2-5-11(6-3-9)24-14-12-7-4-10(17(19)20)8-13(12)25(21,22)16-14/h2-8H,1H3
InChIKey XBMDKLNCMLIFDU-UHFFFAOYSA-N
Molecular Weight 362.312 g/mol
SMILES COC(c1ccc(OC2=NS(c3c2ccc(N(=O)=O)c3)(=O)=O)cc1)=O
SPLASH splash10-01q9-9538000000-7a150a28d6dc13a5358d
Wiley ID 1439969