PDB CCD ID: | A1L2V |
Number of entries in BioLiP: | 1 |
Chemical formula: | C15 H11 Cl O4 |
InChI: | InChI=1S/C15H11ClO4/c16-12-7-9(2-6-14(12)19)1-5-13(18)11-4-3-10(17)8-15(11)20/h1-8,17,19-20H/b5-1+ |
InChIKey: | ROHDVIDCQSNCQQ-ORCRQEGFSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)Cl)O | CACTVS 3.385 | Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Cl)c2 | CACTVS 3.385 | Oc1ccc(c(O)c1)C(=O)\C=C\c2ccc(O)c(Cl)c2 | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)Cl)O |
|
Name: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one |