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(3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(phenylmethylene)-2H-indole
SpectraBase Compound ID JsCKfQBNz6D
InChI InChI=1S/C22H17N3O6S/c1-15-7-9-19(10-8-15)32(30,31)23-14-17(11-16-5-3-2-4-6-16)22-20(23)12-18(24(26)27)13-21(22)25(28)29/h2-13H,14H2,1H3/b17-11+
InChIKey OMXOOXKWYGZUDI-GZTJUZNOSA-N
Mol Weight 451.45 g/mol
Molecular Formula C22H17N3O6S
Exact Mass 451.083806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZmPFZAs41M
Name (3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(phenylmethylene)-2H-indole
Alternate Name(s) (3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(phenylmethylidene)-2H-indole (3Z)-3-benzal-4,6-dinitro-1-tosyl-indoline (3Z)-3-benzylidene-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole (3Z)-3-benzylidene-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole (3Z)-3-benzylidene-4,6-dinitro-1-(p-tolylsulfonyl)indoline
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Formula C22H17N3O6S
InChI InChI=1S/C22H17N3O6S/c1-15-7-9-19(10-8-15)32(30,31)23-14-17(11-16-5-3-2-4-6-16)22-20(23)12-18(24(26)27)13-21(22)25(28)29/h2-13H,14H2,1H3/b17-11+
InChIKey OMXOOXKWYGZUDI-GZTJUZNOSA-N
Molecular Weight 451.453 g/mol
SMILES c1ccc(\C=C/2CN(S(c3ccc(cc3)C)(=O)=O)c3c2c(N(=O)=O)cc(N(=O)=O)c3)cc1
SPLASH splash10-0udm-5690100000-ff26eff32d252757589b
Wiley ID 1462780