XLO
Summary
| Name: | 3-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid |
| Formula: | C15 H11 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 274.699 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-[(~{E})-2-(2-chloranyl-4-oxidanyl-phenyl)ethenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2ccc(\C=C\c1c(cc(cc1)O)Cl)cc2C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H11ClO3/c16-14-9-13(17)7-6-11(14)5-4-10-2-1-3-12(8-10)15(18)19/h1-9,17H,(H,18,19)/b5-4+ |
| InChIKey | InChI | 1.03 | FFFUYAAIQHIBGO-SNAWJCMRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(/C=C/c2cccc(c2)C(O)=O)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(C=Cc2cccc(c2)C(O)=O)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)C=Cc2ccc(cc2Cl)O |
