Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
C.I. 14720 / CI Food red 3 / Carmoisine / Azorubine 3567-69-9 5359894

Structure Other Information
Canonical SMILES C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+]
Iso SMILES C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N/N=C3/C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+]
InChI InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-17-;;
InChI Key OJNIRNOPCQQNRY-BBFBTWSBSA-L
Formula C20H12N2Na2O7S2
Mol Weight 502.428
XlogP3 0
Charge 0

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Synonyms Information
CAS Name disodium (3Z)-4-oxo-3-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]-1-naphthalenesulfonate
IUPAC Name disodium (3Z)-4-oxo-3-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1-sulfonate
Openeye Name disodium (3Z)-4-oxo-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate
Systematic Name disodium (3Z)-4-oxidanylidene-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate
Tratitional Name disodium (3Z)-4-oxidanylidene-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate