| CAS Number | 3564-28-1 |
| Catalog Number | AG003TJ8(AGN-PC-0RB5WD) |
| Chemical Name | Sodium 5-amino-4-hydroxy-3-((2-hydroxy-5-nitrophenyl)diazenyl)naphthalene-2,7-disulfonate |
| EC Number | 222-646-4 |
| IUPAC Name | disodium;5-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate |
| InChI | InChI=1S/C16H12N4O10S2.2Na/c17-10-6-9(31(25,26)27)3-7-4-13(32(28,29)30)15(16(22)14(7)10)19-18-11-5-8(20(23)24)1-2-12(11)21;;/h1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2 |
| InChI Key | ZJFCBBBAQGUBFR-UHFFFAOYSA-L |
| MDL Number | MFCD00135102 |
| Molecular Formula | C16H10N4Na2O10S2 |
| Molecular Weight | 528.3809 |
| SMILES | Oc1ccc(cc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)N(=O)=O.[Na] |
| Synonyms | Mordant Green 17,
3564-28-1,
Disodium 5-amino-4-hydroxy-3-((2-hydroxy-5-nitrophenyl)azo)naphthalene-2,7-disulphonate,
EINECS 222-646-4,
EC 222-646-4,
P0594,
Palatine Chrome Green,
C16H12N4O10S2.2Na,
C.I. Mordant Green 17, disodium salt,
CID11970282,
C16-H12-N4-O10-S2.2Na,
Disodium 5-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonate,
2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-, disodium salt,
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| Complexity | 915 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 527.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 528.374g/mol |
| Monoisotopic Mass | 527.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 268A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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