| CAS Number | 4553-89-3 |
| Catalog Number | AG00D92P(AGN-PC-0RTVGV) |
| Chemical Name | Sodium 4,4'-((2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene)bis(diazene-2,1-diyl))bis(naphthalene-1-sulfonate) |
| EC Number | 224-924-0 |
| IUPAC Name | disodium;4-[2-[3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate |
| 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 |
| InChI Key | TUQJHVRCALPCHU-UHFFFAOYSA-L |
| MDL Number | MFCD01747711 |
| Molecular Formula | C27H18N4Na2O9S2 |
| Molecular Weight | 652.5628 |
| SMILES | [Na+].[Na+].OCc1cc(N=Nc2ccc(c3ccccc23)S(=O)(=O)[O-])c(O)c(N=Nc4ccc(c5ccccc45)S(=O)(=O)[O-])c1O |
| Synonyms | 4,4'-((2,4-dihydroxy-5-(hydroxymethyl)-m-phenylene)bis(azo))di-1-naphthalenesulfonic acid, disodium salt,
Brown HT,
C.I. 20285,
Chocolate Brown HT,
Brown HT,
4553-89-3,
BCP27990,
Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate,
CIFOODBROWN3;LS-194959 ;1538 Brown;C.I.20285;Certicol Brown N Extra,
Sodium 4,4'-((2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene)bis(diazene-2,1-diyl))bis(naphthalene-1-sulfonate),
|
| Complexity | 1350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 652.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 652.56g/mol |
| Monoisotopic Mass | 652.031g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 234A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number