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Phenol, 2-[[1,2-dihydro-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3H-indol-3-yliden]methyl]-4-nitro-
SpectraBase Compound ID G0HNTpNmPzH
InChI InChI=1S/C22H16N4O9S/c1-13-2-5-18(6-3-13)36(34,35)23-12-15(8-14-9-16(24(28)29)4-7-21(14)27)22-19(23)10-17(25(30)31)11-20(22)26(32)33/h2-11,27H,12H2,1H3/b15-8+
InChIKey BHDYQDFZUZUFGR-OVCLIPMQSA-N
Mol Weight 512.45 g/mol
Molecular Formula C22H16N4O9S
Exact Mass 512.063799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHGtWU4nJMA
Name Phenol, 2-[[1,2-dihydro-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3H-indol-3-yliden]methyl]-4-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N4O9S
InChI InChI=1S/C22H16N4O9S/c1-13-2-5-18(6-3-13)36(34,35)23-12-15(8-14-9-16(24(28)29)4-7-21(14)27)22-19(23)10-17(25(30)31)11-20(22)26(32)33/h2-11,27H,12H2,1H3/b15-8+
InChIKey BHDYQDFZUZUFGR-OVCLIPMQSA-N
Molecular Weight 512.449 g/mol
SMILES Oc1c(cc(cc1)N(=O)=O)\C=C/1CN(c2cc(cc(c12)N(=O)=O)N(=O)=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-052f-9522000000-fa5075a76d1d1d5a2bf9
Source of Spectrum IY-1-4489-7
Synonyms 2-[(Z)-[1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indol-3-ylidene]methyl]-4-nitrophenol 2-[(Z)-[4,6-dinitro-1-(p-tolylsulfonyl)indolin-3-ylidene]methyl]-4-nitro-phenol 2-[(Z)-[1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indol-3-ylidene]methyl]-4-nitro-phenol
Wiley ID 1652880