Search Result : Detailed Informations
| Low Mol Weight Allergen Name |
CAS# |
CID |
| Reactive black 5 / C.I. 20505 |
12225-25-1
|
9570329
|
| Structure |
Other Information |
|
| Canonical SMILES |
C1=CC(=CC=C1NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
|
| Iso SMILES |
C1=CC(=CC=C1N/N=C2/C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
|
| InChI |
InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,29H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b30-28?,31-25-;;;;
|
| InChI Key |
FWKNDLPEBIXZRV-FXJKTVKKSA-J
|
| Formula |
C26H21N5Na4O19S6
|
| Mol Weight |
991.816 |
| XlogP3 |
0 |
| Charge |
0 |
|
Click structure image, you can go to pubchem link...
| Synonyms Information |
| CAS Name |
tetrasodium (6E)-4-amino-5-oxo-3-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate |
| IUPAC Name |
tetrasodium (6E)-4-amino-5-oxo-3-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate |
| Openeye Name |
tetrasodium (6E)-4-amino-5-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate |
| Systematic Name |
tetrasodium (6E)-4-azanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate |
| Tratitional Name |
tetrasodium (6E)-4-azanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate |
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