Molecule
![Molecular Image]()
C.I. Acid Red 88; ESI-QTOF; MS2; CE: 10; [M-H]-
C.I. Acid Red 88; ESI-QTOF; MS2; CE: 20; [M-H]-
C.I. Acid Red 88; ESI-QTOF; MS2; CE: 40; [M-H]-
nfdi4chem-mol52632(Unknown Molecule)
Chemical Information
| InChI | InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+ |
|---|---|
| SMILES | OC1=CC=C2C=CC=CC2=C1/N=N/C1C=CC(=C2C=CC=CC=12)S(O)(=O)=O |
| InChI Key | JSAKRLDIZOGQTN-QURGRASLSA-N |
| Exact Mass | 378.067 g/mol |
3 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol52632 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| RE8 | rcsb_pdb |
| CHEMBL122275 | chembl |
| 6763835 | surechembl |
| 15454 | pubchem |
| RE8 | pdbe |
| DTXSID2047010 | comptox |
| The data in this table is sourced from UniChem at EBI. | |