7EL
Summary
| Name: | 2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol |
| Formula: | C13 H10 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 263.676 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol |
| OpenEye OEToolkits | 2.0.6 | 2-chloranyl-6-[(~{E})-hydroxyiminomethyl]-3-(4-hydroxyphenyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc2ccc(c1c(c(O)c([C@H]=NO)cc1)Cl)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-7,16-18H/b15-7+ |
| InChIKey | InChI | 1.03 | UPNYTTDLLBLJGJ-VIZOYTHASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O\N=C\c1ccc(c2ccc(O)cc2)c(Cl)c1O |
| SMILES | CACTVS | 3.385 | ON=Cc1ccc(c2ccc(O)cc2)c(Cl)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2ccc(c(c2Cl)O)C=NO)O |
