TU0
Summary
| Name: | (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID |
| Formula: | C8 H7 Br O4 S |
| Formal charge: | 0 |
| Formula weight: | 279.108 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (E)-2-(5-bromo-2-hydroxyphenyl)ethenesulfonic acid |
| OpenEye OEToolkits | 1.9.2 | (E)-2-(5-bromanyl-2-oxidanyl-phenyl)ethenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(\C=C\S(=O)(=O)O)c(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H7BrO4S/c9-7-1-2-8(10)6(5-7)3-4-14(11,12)13/h1-5,10H,(H,11,12,13)/b4-3+ |
| InChIKey | InChI | 1.03 | UHSWOANMCMMEKU-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Br)cc1\C=C\[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | Oc1ccc(Br)cc1C=C[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Br)/C=C/S(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Br)C=CS(=O)(=O)O)O |
