XOS
Summary
| Name: | 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid |
| Formula: | C15 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 240.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(C(O)=O)cc(cc1)[C@H]=[C@H]c2ccc(cc2)O |
| InChI | InChI | 1.03 | InChI=1S/C15H12O3/c16-14-8-6-11(7-9-14)4-5-12-2-1-3-13(10-12)15(17)18/h1-10,16H,(H,17,18)/b5-4+ |
| InChIKey | InChI | 1.03 | KNXROYFVTYZPCH-SNAWJCMRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(/C=C/c2ccc(O)cc2)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(C=Cc2ccc(O)cc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)C=Cc2ccc(cc2)O |
