Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Allura red / FD&C Red No. 40 / Red 40 25956-17-6 6093299

Structure Other Information
Canonical SMILES CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]
Iso SMILES CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N/N=C/2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]
InChI InChI=1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-18+;;
InChI Key POXPUHKJGLHZEM-VIPPSAFOSA-L
Formula C18H14N2Na2O8S2
Mol Weight 496.422
XlogP3 0
Charge 0

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Synonyms Information
CAS Name disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)hydrazinylidene]-6-oxo-2-naphthalenesulfonate
IUPAC Name disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfonato-phenyl)hydrazono]-6-oxo-naphthalene-2-sulfonate
Openeye Name disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate
Systematic Name disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfonato-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate
Tratitional Name disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfonato-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate