Debug Info

object
{24}
_id
:
5XFj9P6y8vJ
compoundID
:
5XFj9P6y8vJ
ambiguous
:
false
names
[0]
name
:
Methylium, [4-(dimethylamino)phenyl]bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]-, hydroxide, inner salt, ion(1-)
ambiguousSiblings
[0]
hasStructure
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true
recordSources
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properties
{7}
spectrumSourcesMap
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spectrumSourcesMapSuggestedOrder
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parentCompound
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saltCompounds
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isotopicCompounds
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stereoisomerCompounds
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stereoisomerSaltCompounds
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similarCompounds
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vendors
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articles
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lastUpdated
:
1735071411015
isDeprecated
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false
productInfo
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spectrumSourcesMapCountOriginal
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spectrumSourcesMapCountFiltered
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1

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Methylium, [4-(dimethylamino)phenyl]bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]-, hydroxide, inner salt, ion(1-)
SpectraBase Compound ID 5XFj9P6y8vJ
InChI InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1
InChIKey AXMCIYLNKNGNOT-UHFFFAOYSA-M
Mol Weight 733.87376928 g/mol
Molecular Formula C39H40N3NaO6S2
Exact Mass 733.225623 g/mol
Parent InChIKey IHZXTIBMKNSJCJ-UHFFFAOYSA-M
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