| PDB CCD ID: | 2LB |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H10 O5 S |
| InChI: | InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m0/s1 |
| InChIKey: | WIXFIQKTHUVFDI-NSHDSACASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O | | ACDLabs 12.01 | O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C | | OpenEye OEToolkits 1.7.6 | CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O | | CACTVS 3.385 | C[C@@]1(CC(=O)c2ccccc2C1=O)[S](O)(=O)=O | | CACTVS 3.385 | C[C]1(CC(=O)c2ccccc2C1=O)[S](O)(=O)=O |
|
| Name: | (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid;
menadione bisulfite |
| ZINC: | ZINC000001999509 |
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