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indigo carmine

Properties

Image

Occurences in reactions

MNX_ID

MNXM156780

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₆H₈N₂Na₂O₈S₂

charge

mass

465.95175

reference

chebi:31695

InChIKey

KHLVKKOJDHCJMG-QDBORUFSSA-L

InChI

InChI=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+;;

SMILES

O=C1/C(=C2\Nc3ccc(S(=O)(=O)[O-])cc3C2=O)Nc2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31695 chebi:31695	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	Indigocarmine Indigotindisulfonate sodium
kegg.drug:D01563 keggD:D01563	Indigotindisulfonate sodium (USP) Indigo carmine (TN) Indigocarmine (JP18)
keggD:M_D01563	secondary/obsolete/fantasy identifier