Search Result : Detailed Informations
| Low Mol Weight Allergen Name |
CAS# |
CID |
| Chocolate brown HT / Brown HT / C.I. 20285 |
4553-89-3
|
6536776
|
| 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=C3/C=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-QPRXZMCZSA-L
|
| Formula |
C27H18N4Na2O9S2
|
| Mol Weight |
652.563 |
| XlogP3 |
0 |
| Charge |
0 |
|
Click structure image, you can go to pubchem link...
| Synonyms Information |
| CAS Name |
disodium 4-[(2Z)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]-1-cyclohex-2-enylidene]hydrazinyl]-1-naphthalenesulfonate |
| IUPAC Name |
disodium 4-[(2Z)-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-[(2Z)-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-[(2Z)-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-[(2Z)-2-[(5E)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate |
|
