Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Supramine red 3058-98-8 23681098
Structure Other Information
Canonical SMILES CC1=C(C=C(C=C1)NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)NC4=CC=CC=C4.[Na+]
Iso SMILES CC1=C(C=C(C=C1)N/N=C2/C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)NC4=CC=CC=C4.[Na+]
InChI InChI=1S/C23H19N3O6S2.Na/c1-15-11-12-17(13-21(15)33(28,29)26-16-7-3-2-4-8-16)24-25-20-14-22(34(30,31)32)18-9-5-6-10-19(18)23(20)27;/h2-14,24,26H,1H3,(H,30,31,32);/q;+1/p-1/b25-20-;
InChI Key VIFUFMYKKAIJHR-RKVLWQGQSA-M
Formula C23H18N3NaO6S2
Mol Weight 519.525
XlogP3 0
Charge 0

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Synonyms Information
CAS Name sodium (3Z)-3-[[4-methyl-3-(phenylsulfamoyl)phenyl]hydrazinylidene]-4-oxo-1-naphthalenesulfonate
IUPAC Name sodium (3Z)-3-[[4-methyl-3-(phenylsulfamoyl)phenyl]hydrazono]-4-oxo-naphthalene-1-sulfonate
Openeye Name sodium (3Z)-3-[[4-methyl-3-(phenylsulfamoyl)phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate
Systematic Name sodium (3Z)-3-[[4-methyl-3-(phenylsulfamoyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonate
Tratitional Name sodium (3Z)-3-[[4-methyl-3-(phenylsulfamoyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonate