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indigo carmine

PropertiesImage
MNX_IDMNXM156780 Image of MNXM156780
referencechebi:31695
formulaC16H8N2Na2O8S2
global charge0
mol weight466.36
InChIKeyKHLVKKOJDHCJMG-QDBORUFSSA-L
InChIInChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;;
SMILESO=C1C2=CC(S(=O)(=O)[O-])=CC=C2N/C1=C1/NC2=CC=C(S(=O)(=O)[O-])C=C2C1=O.[Na+].[Na+]
MNX internals
InChI (mnx)InChI=1/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/b14-13+;; Image of MNXM156780
SMILES (mnx)[CH:1]1=[CH:3][C:11]2=[C:9]([CH:5]=[C:7]1[S:27]([OH:21])(=[O:22])=[O:23])[C:15](=[O:19])/[C:13](=[C:14]1/[C:16](=[O:20])[C:10]3=[C:12]([CH:4]=[CH:2][C:8]([S:28]([OH:24])(=[O:25])=[O:26])=[CH:6]3)[NH:18]1)[NH:17]2.[Na+:29].[Na+:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31695
chebi:31695
KHLVKKOJDHCJMG-QDBORUFSSA-L 		indigo carmine
Acid blue 74
C.I. 73015
C.I. 75781
C.I. Acid Blue 74
C.I. Food Blue 1
C.I. Food Blue 1, disodium salt
C.I. Natural Blue 2
Disodium 3,3'-dioxo-(delta2,2'-biindoline)-5,5'-disulfonate
Disodium 5,5'-disulfoindigo
Disodium 5,5'-indigotin disulfonate
Disodium indigo-5,5-disulfonate
E 132
FD and C Blue No. 2
FD&C Blue No. 2
Indigo carmine
Indigocarmine
Indigotin-5,5'-disulfonic acid disodium salt
Indigotindisulfonate sodium
Natural blue 2
Sodium 5,5'-indigotindisulfonate
Sodium indigo-5,5'-bisulfonate
Sodium indigotindisulfonate
disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonate

sabiork.compound:15047
sabiorkM:15047
KHLVKKOJDHCJMG-QDBORUFSSA-L 		Indigocarmine
Indigotindisulfonate sodium

kegg.drug:D01563
keggD:D01563
KHLVKKOJDHCJMG-QDBORUFSSA-L 		Indigotindisulfonate sodium (USP)
Indigo carmine (TN)
Indigocarmine (JP18)

keggD:M_D01563 		secondary/obsolete/fantasy identifier