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Naphthol Green B
CAS: 19381-50-1 | C30H15FeN3Na3O15S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19381-50-1
Molecular Formula:
C30H15FeN3Na3O15S3
Molecular Mass:
878.47 g/mol
Names and Synonyms:
Naphthol Green B
Ferrate(3-), tris[5,6-dihydro-5-(hydroxyimino-κN)-6-(oxo-κO)-2-naphthalenesulfonato(2-)]-, sodium (1:3)
Iron, tris(5,6-dihydro-5,6-dioxo-2-naphthalenesulfonic acid 5-oximato)-, trisodium salt
Ferrate(3-), tris[5,6-dihydro-5-(hydroxyimino)-6-oxo-2-naphthalenesulfonato(2-)-N5,O6]-, trisodium
C.I. Acid Green 1
Ferrate(3-), tris[5,6-dihydro-5-(hydroxyimino-κN)-6-(oxo-κO)-2-naphthalenesulfonato(2-)]-, trisodium
2-Naphthalenesulfonic acid, 5,6-dihydro-5-(hydroxyimino)-6-oxo-, iron complex
Ext D and C Green No. 1
D and C Green 1
C.I. 10020
Naphthol Green B
Naphthol Green
Acid Green 1
Basacid Green 970
Japan Green 401
Japan Green No. 401
NSC 9830
Ext D & C Green 1
Colocid Green B
Vicoacid Naphthol Green B
Covanyl Green B
Acid Green 1-39005
Triacid Green B
Basovit Green 971
Indacid Green B
Devarcid Green VA
Acid Vaporaid Green PXC
Dinacid Voporaid Green PXC
Cogilor Green 611.31
Sicomet Green S 10020
Covalene Green B
Cogilor Green 611.31-90044
Sakolan Green 4ZH
Naphthol Green B 90044
Green No. 401
Green 401
Identifiers:
SMILES:
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=N[O-].O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=N[O-].O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=N[O-].[Fe+3].[Na+].[Na+].[Na+]
InChI:
InChI=1S/3C10H7NO5S.Fe.3Na/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;;;;/h3*1-5,13H,(H,14,15,16);;;;/q;;;+3;3*+1/p-6
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 878.47 g/mol | CAS Common Chemistry |
| 878.4720000000002 g/mol | RDKit | |
| 877.8707751200002 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Naphthol_Green_B | CAS Common Chemistry |
| Canonical SMILES | [Na+].O=S(=O)([O-])C=1C=CC2=C(C=CC3=O[Fe+3]45(O=C6C=CC=7C=C(C=CC7C6=[N]4[O-])S(=O)(=O)[O-])(O=C8C=CC=9C=C(C=CC9C8=[N]5[O-])S(=O)(=O)[O-])[N]([O-])=C32)C1 | CAS Common Chemistry |
| InChI | InChI=1S/3C10H7NO5S.Fe.3Na/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;;;;/h3*1-5,13H,(H,14,15,16);;;;/q;;;+3;3*+1/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=ZHHKVLCBIBQGKO-UHFFFAOYSA-H | CAS Common Chemistry |
| Name | C.I. Acid Green 1 | CAS Common Chemistry |
| Naphthol Green B | CAS Common Chemistry | |
| Heavy Atom Count | 55 | RDKit |
| Hydrogen Bond Acceptors | 18 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 329.07 Ų | RDKit |
| LogP | -7.570000000000006 | RDKit |
| Molar Refractivity | 175.05059999999978 | RDKit |
