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Benzenesulfonic Acid, 2,2′-(1,2-Ethenediyl)Bis[5-Azido-, Sodium Salt (1:2)
CAS: 2718-90-3 | C14H10N6Na2O6S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2718-90-3
Molecular Formula:
C14H10N6Na2O6S2
Molecular Mass:
468.38 g/mol
Names and Synonyms:
Benzenesulfonic Acid, 2,2′-(1,2-Ethenediyl)Bis[5-Azido-, Sodium Salt (1:2)
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-azido-, sodium salt (1:2)
2,2′-Stilbenedisulfonic acid, 4,4′-diazido-, disodium salt
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-azido-, disodium salt
4,4′-Diazidostilbene-2,2′-disulfonic acid sodium salt
Sodium 4,4′-bisazido-2,2′-stilbenedisulfonate
Sodium 4,4′-diazido-2,2′-stilbenedisulfonate
Disodium 4,4′-diazidostilbene-2,2′-disulfonate
SCL 14
4,4′-Diazidostilbene-2,2′-disulfonic acid disodium salt
A 066
DAS
Identifiers:
SMILES:
N#[N+]N=C1C=CC(=CC=C2C=CC(=NN=[N-])C=C2S(=O)(=O)O)C(S(=O)(=O)O)=C1.[Na].[Na]
InChI:
InChI=1S/C14H10N6O6S2.2Na/c15-19-17-11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(18-20-16)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);;
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 | 468.38 g/mol | CAS Common Chemistry |
| 468.3840000000001 g/mol | RDKit | |
| 467.9898625999998 g/mol | RDKit | |
| Canonical SMILES | [Na].[N-]=[N+]=NC1=CC=C(C=CC2=CC=C(N=[N+]=[N-])C=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C14H10N6O6S2.2Na/c15-19-17-11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(18-20-16)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);; | CAS Common Chemistry |
| InChI Key | InChIKey=RVHBUGYORUQPGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-azido-, sodium salt (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 196.26999999999995 Ų | RDKit |
| LogP | 1.3472800000000003 | RDKit |
| Molar Refractivity | 110.95820000000003 | RDKit |
