PDB CCD ID: | 3CG |
Number of entries in BioLiP: | 1 |
Chemical formula: | C9 H9 O5 Sb |
InChI: | InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6-;;;; |
InChIKey: | ZTQRMGDLUGQTTF-VSJPESBJSA-L |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.9.2 | c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O | CACTVS 3.385 | OC(=O)C=Cc1cccc(c1)[Sb](O)(O)=O | CACTVS 3.385 | OC(=O)\C=C/c1cccc(c1)[Sb](O)(O)=O | ACDLabs 12.01 | O=C(O)\C=C/c1cc(ccc1)[Sb](=O)(O)O |
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Name: | (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid |