Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(/c1ccccc1)(=C\C(C)=[C@H]C(=O)C(O)=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C13H12O4/c1-9(8-12(15)13(16)17)7-11(14)10-5-3-2-4-6-10/h2-8,14H,1H3,(H,16,17)/p-1/b9-8+,11-7- |
InChIKey | InChI | 1.03 | JCSKQBIZFFCCKU-UVTPKQPNSA-M |
SMILES_CANONICAL | CACTVS | 3.385 | CC(\C=C([O-])\c1ccccc1)=C/C(=O)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C=C([O-])c1ccccc1)=CC(=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C/C(=C\C(=O)C(=O)O)/C=C(/c1ccccc1)\[O-] |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CC(=O)C(=O)O)C=C(c1ccccc1)[O-] |