1. Primary Information
| English name: | Benzenesulfonic Acid |
| CAS No.: | 98-11-3 |
| Molecular formula: | C6H6O3S |
| Molecular weight: | 158.18 g/mol |
| SMILES: | C1=CC=C(C=C1)S(=O)(=O)O |
| Structural class: | |
| Other identifiers: |
benzenesulfonate benzenesulfonic acid benzenesulfonic acid hexahydrate, zinc salt, benzenesulfonic acid, ammonium salt benzenesulfonic acid, calcium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98%,无水 | 40 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98%，无水级 | 216 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98%，无水级 | 880 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 98%，无水级 | 3040 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
benzenesulfonic acid
4.2 InChI
InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
4.3 InChIKey
SRSXLGNVWSONIS-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
