ORANGE RN
General Information
Evaluations
| Evaluation year: | 1977 |
| ADI: | NO ADI ALLOCATED |
| Meeting: | 21 |
| Specs Code: | O |
| Comments: | The colour is little used and it is understood its use will be discontinued |
| Report: | TRS 617-JECFA 21/20 |
| Tox Monograph: | FAS 12-JECFA 21/85 |
| Specification: | NOT PREPARED |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23668832 |
| IUPAC Name | sodium;(5Z)-6-oxo-5-(phenylhydrazinylidene)naphthalene-2-sulfonate |
| InChI | InChI=1S/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,17H,(H,20,21,22);/q;+1/p-1/b18-16-; |
| InChI Key | MWRMYQCXIXUBGJ-FTUZMNKQSA-M |
| Canonical SMILES | C1=CC=C(C=C1)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+] |
| Molecular Formula | C16H11N2NaO4S |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 350.324 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Complexity | 621.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B 7 O C B A A A A A A A A A A A A A A A A A A A A A A A A w Y I A A A A A A A A C B Q A A A H g Q Y A A A A D A y B 2 A A w w Y B i A A K o A 6 R y Q H D S B E A g A g A Y i B k g Z N g I I L K A l Z G A I A B g m A A I y Y c Y i I C O k A A A g A A Q A A A g A A E A A C A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 107.0 |
| Monoisotopic Mass | 350.034 |
| Exact Mass | 350.034 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem