| PDB CCD ID: | 6AN |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H13 N O3 S |
| InChI: | InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h2-11H,1H2,(H,18,19,20) |
| InChIKey: | WXUMRSOAQINBNG-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | O[S](=O)(=O)c1ccc2cc(ccc2c1)N=C3C=CCC=C3 | | OpenEye OEToolkits 1.6.1 | c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3 | | ACDLabs 10.04 | O=S(=O)(O)c3ccc2cc(\N=C1/C=CCC=C1)ccc2c3 |
|
| Name: | 6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE;
2-ANILINONAPHTHALENE-6-SULFONIC ACID |
| ZINC: | ZINC000058638341 |
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