Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
C.I. Food Brown 3 4553-89-3 9570176

Structure Other Information
Canonical SMILES C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+]
Iso SMILES C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N/N=C/3C=C(C(=O)/C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])/C3=O)CO.[Na+].[Na+]
InChI InChI=1S/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,28-29,32H,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-22+,31-25+;;
InChI Key TUQJHVRCALPCHU-CRVUNLCOSA-L
Formula C27H18N4Na2O9S2
Mol Weight 652.563
XlogP3 0
Charge 0

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Synonyms Information
CAS Name disodium 4-[(2E)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]-1-cyclohex-2-enylidene]hydrazinyl]-1-naphthalenesulfonate
IUPAC Name disodium 4-[(2E)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonato-1-naphthyl)hydrazono]cyclohex-2-en-1-ylidene]hydrazino]naphthalene-1-sulfonate
Openeye Name disodium 4-[(2E)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate
Systematic Name disodium 4-[(2E)-2-[(5E)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate
Tratitional Name disodium 4-[(2E)-2-[(5E)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate