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Acid Fuchsin
CAS: 3244-88-0 | C20H19N3Na2O9S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3244-88-0
Molecular Formula:
C20H19N3Na2O9S3
Molecular Mass:
587.57 g/mol
Names and Synonyms:
Acid Fuchsin
Benzenesulfonic acid, 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, sodium salt (1:2)
Rubine S
C.I. Acid Violet 19
C.I. Acid Violet 19, disodium salt
Benzenesulfonic acid, 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, disodium salt
Acidal Magenta
Acid Fuchsine N
Acid Fuchsine O
Acid Fuchsine FB
Acid Fuchsine S
Acid Leather Magenta A
Kiton Magenta A
Acid Fuchsine
Fuchsine acid
Acid fuchsin
p-Fuchsine acid
Acid Magenta O
Fuchsin acid
Acid rosein
Acid rubin
Acid Magenta
Fuchsin S
Acid fuchsin sodium salt
C.I. 42685
Acid Violet 19
Fuchine Acid Photo Grade
Albion Acid Magenta
Triacid Magenta
Andrade indicator
Disodium fuchsin
Acid Red
Fuschine acid
AF 585
Identifiers:
SMILES:
Cc1cc(C(=C2C=CC(=N)C(S(=O)(=O)O)=C2)c2ccc(N)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1N.[Na].[Na]
InChI:
InChI=1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,21H,22-23H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;
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 | 587.57 g/mol | CAS Common Chemistry |
| 587.5650000000002 g/mol | RDKit | |
| 587.0078807479998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acid_fuchsin | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC(C=CC1=N)=C(C2=CC=C(N)C(=C2)S(=O)(=O)O)C=3C=C(C(N)=C(C3)S(=O)(=O)O)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,21H,22-23H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);; | CAS Common Chemistry |
| InChI Key | InChIKey=INANUDXXVSOXDE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Acid fuchsin | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 238.99999999999997 Ų | RDKit |
| LogP | 1.0543900000000004 | RDKit |
| Molar Refractivity | 140.10330000000002 | RDKit |
