Search Result : Detailed Informations
Low Mol Weight Allergen Name Acid Blue W / Disodium Indigo-5,5-Disulfonate / FD&C Blue No. 2 / CI Food blue 1 / Sodium indigotindisulfonate
CAS# 860-22-0
CID 5284351

Structure Other Information
Canonical SMILES C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+]
Iso SMILES C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)/C(=C3/C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])/N2.[Na+].[Na+]
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+;;
InChI Key KHLVKKOJDHCJMG-QDBORUFSSA-L
Formula C16H8N2Na2O8S2
Mol Weight 466.353
XlogP3 0
Charge 0
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Synonyms Information
CAS Name disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate
IUPAC Name disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-indolin-2-ylidene)indoline-5-sulfonate
Openeye Name disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate
Systematic Name disodium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate
Tratitional Name disodium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate

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