Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c(cc(\C=C\c1ccc(B(O)O)cc1)cc2)C(O)=O |
InChI | InChI | 1.03 | InChI=1S/C15H13BO4/c17-15(18)13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)16(19)20/h1-10,19-20H,(H,17,18)/b5-4+ |
InChIKey | InChI | 1.03 | YDRUKHFGOZJRHC-SNAWJCMRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1ccc(/C=C/c2cccc(c2)C(O)=O)cc1 |
SMILES | CACTVS | 3.385 | OB(O)c1ccc(C=Cc2cccc(c2)C(O)=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1)/C=C/c2cccc(c2)C(=O)O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1)C=Cc2cccc(c2)C(=O)O)(O)O |