Search Result : Detailed Informations
| Low Mol Weight Allergen Name |
CAS# |
CID |
| FD&C Blue No. 2 / CI Food blue 1 / Sodium indigotindisulfonate |
860-22-0
|
9933195
|
| Structure |
Other Information |
|
| Canonical SMILES |
C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)O)N2.[Na+]
|
| Iso SMILES |
C1=CC2=C(C=C1S(=O)(=O)O)C(=O)/C(=C/3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)O)/N2.[Na+]
|
| InChI |
InChI=1S/C16H10N2O8S2.Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);/q;+1/b14-13-;
|
| InChI Key |
QCHDYDABSYZDLZ-HPWRNOGASA-N
|
| Formula |
C16H10N2NaO8S2+
|
| Mol Weight |
445.379 |
| XlogP3 |
0 |
| Charge |
1 |
|
Click structure image, you can go to pubchem link...
| Synonyms Information |
| CAS Name |
sodium (2Z)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid |
| IUPAC Name |
sodium (2Z)-3-oxo-2-(3-oxo-5-sulfo-indolin-2-ylidene)indoline-5-sulfonic acid |
| Openeye Name |
sodium (2Z)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid |
| Systematic Name |
sodium (2Z)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid |
| Tratitional Name |
sodium (2Z)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid |
|
