Quinoline Yellow
Relevant Data
Food Additives Approved by WHO:
General Information
Chemical name | Quinoline Yellow |
E No. | E 104 |
INS. | 104 |
CAS number | 8004-92-0 |
Group | No |
From webgate.ec.europa.eu
Authorisation of the use of this additive in Food Additives
The additive is authorised to be used in the following category(ies):
category(ies) | Individual restriction(s)/exception(s) | footnote |
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From webgate.ec.europa.eu
Computed Descriptors
Download SDF2D Structure | |
CID | 24671 |
IUPAC Name | disodium;2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate |
InChI | InChI=1S/C18H11NO8S2.2Na/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27;;/h1-8,15H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2 |
InChI Key | FZUOVNMHEAPVBW-UHFFFAOYSA-L |
Canonical SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Molecular Formula | C18H9NNa2O8S2 |
Wikipedia | disodium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonate |
From Pubchem
Computed Properties
Property Name | Property Value |
---|---|
Molecular Weight | 477.369 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 1 |
Complexity | 853.0 |
CACTVS Substructure Key Fingerprint | A A A D c c B 6 P D B g A A A A A A A A A A A A A A A A A Y A A A A A 8 Y I A A A A A A A G C x 9 A A A H g Q A A A A A D Q y B 3 g A w w f I I E A K o A 6 R y R H D C g G A l A i A I m D 0 w Z N g I I P r I l Z G E I Q h g g A D I y Y c Z i M C O g A Q A g E A S A Q A A C A E A g C Q C A Q A A C A A A A A = = |
Topological Polar Surface Area | 178.0 |
Monoisotopic Mass | 476.956 |
Exact Mass | 476.956 |
Compound Is Canonicalized | True |
Formal Charge | 0 |
Heavy Atom Count | 31 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Isotope Atom Count | 0 |
Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
Kingdom | Organic compounds |
---|---|
Superclass | Benzenoids |
Class | Indanes |
Subclass | Indanones |
Intermediate Tree Nodes | Not available |
Direct Parent | Indanediones |
Alternative Parents |
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Molecular Framework | Aromatic heteropolycyclic compounds |
Substituents | Indanedione - Quinoline - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Aryl alkyl ketone - 1,3-diketone - Pyridine - 1,3-dicarbonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Azacycle - Organoheterocyclic compound - Organic alkali metal salt - Organic salt - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic sodium salt - Aromatic heteropolycyclic compound |
Description | This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups. |
From ClassyFire