(E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-[(E)-2-(3-bromo-4,5-dihydroxy-phenyl)-1-cyano-vinyl]sulfonyl-acrylonitrile

SpectraBase Compound ID	477uGkXYnc2
InChI	InChI=1S/C18H10Br2N2O6S/c19-13-3-9(5-15(23)17(13)25)1-11(7-21)29(27,28)12(8-22)2-10-4-14(20)18(26)16(24)6-10/h1-6,23-26H/b11-1+,12-2+
InChIKey	VBOBOVYYRHVGSJ-NJDSBKIZSA-N Google Search
Mol Weight	542.15 g/mol
Molecular Formula	C18H10Br2N2O6S
Exact Mass	539.862633 g/mol

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SpectraBase Spectrum ID	297JaVk9hAa
Name	(E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-[(E)-2-(3-bromo-4,5-dihydroxy-phenyl)-1-cyano-vinyl]sulfonyl-acrylonitrile
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H10Br2N2O6S
InChI	InChI=1S/C18H10Br2N2O6S/c19-13-3-9(5-15(23)17(13)25)1-11(7-21)29(27,28)12(8-22)2-10-4-14(20)18(26)16(24)6-10/h1-6,23-26H/b11-1+,12-2+
InChIKey	VBOBOVYYRHVGSJ-NJDSBKIZSA-N
Molecular Weight	542.154 g/mol
SMILES	Oc1c(c(cc(\C=C/(S(\C(=C\c2cc(c(c(c2)Br)O)O)C#N)(=O)=O)C#N)c1)Br)O
SPLASH	splash10-0006-0000090000-2903ccd52d1a6b246412
Source of Spectrum	E1-39-4910-23
Synonyms	(E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-[(E)-2-(3-bromo-4,5-dihydroxy-phenyl)-1-cyano-vinyl]sulfonyl-prop-2-enenitrile (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-[(E)-2-(3-bromo-4,5-dihydroxyphenyl)-1-cyanoethenyl]sulfonyl-2-propenenitrile (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-[(E)-2-(3-bromo-4,5-dihydroxyphenyl)-1-cyanoethenyl]sulfonylprop-2-enenitrile (E)-3-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-2-[(E)-2-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-1-cyano-ethenyl]sulfonyl-prop-2-enenitrile
Wiley ID	1599085