1. Primary Information
| English name: | 4-(4-Guanidinobenzoyloxy)phenylacetic acid |
| CAS No.: | 71079-09-9 |
| Molecular formula: | C17H19N3O7S |
| Molecular weight: | 409.4 g/mol |
| SMILES: | CS(=O)(=O)O.C1=CC(=CC=C1CC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)N |
| Structural class: | |
| Other identifiers: |
4-(4-guanidinobenzoyloxy)phenylacetic acid FOY 251 FOY-251 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 512 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 896 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1792 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 4352 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]acetic acid;methanesulfonic acid
4.2 InChI
InChI=1S/C16H15N3O4.CH4O3S/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21;1-5(2,3)4/h1-8H,9H2,(H,20,21)(H4,17,18,19);1H3,(H,2,3,4)
4.3 InChIKey
JXMOPIDYHUYOED-UHFFFAOYSA-N
4.4 Canonical SMILES
CS(=O)(=O)O.C1=CC(=CC=C1CC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)N
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
-- No 3D model data available --
