| PDB CCD ID: | 3JN |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H10 O6 |
| InChI: | InChI=1S/C12H10O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1-5H,6H2,(H,13,14)(H,15,16)(H,17,18)/b4-2+ |
| InChIKey: | IVICCMHKRTYMTD-DUXPYHPUSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)C\C=C\c1cccc(C(O)=O)c1C(O)=O | | CACTVS 3.385 | OC(=O)CC=Cc1cccc(C(O)=O)c1C(O)=O | | OpenEye OEToolkits 1.7.6 | c1cc(c(c(c1)C(=O)O)C(=O)O)C=CCC(=O)O | | OpenEye OEToolkits 1.7.6 | c1cc(c(c(c1)C(=O)O)C(=O)O)/C=C/CC(=O)O | | ACDLabs 12.01 | O=C(O)C/C=C/c1cccc(C(=O)O)c1C(=O)O |
|
| Name: | 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid;
3-carboxy-propenyl-phthalic acid |
| ZINC: | ZINC000204184464 |
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