S2L
Summary
| Name: | 5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| Formula: | C14 H11 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 262.688 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| OpenEye OEToolkits | 2.0.6 | 5-[(~{E})-2-(2-chloranyl-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cc(cc1O)[C@H]=Cc2c(cc(cc2)O)Cl)O |
| InChI | InChI | 1.03 | InChI=1S/C14H11ClO3/c15-14-8-11(16)4-3-10(14)2-1-9-5-12(17)7-13(18)6-9/h1-8,16-18H/b2-1+ |
| InChIKey | InChI | 1.03 | YSKUNWVWMAIANA-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(C=Cc2cc(O)cc(O)c2)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1O)Cl)/C=C/c2cc(cc(c2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1O)Cl)C=Cc2cc(cc(c2)O)O |
