LNX
Summary
| Name: | 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid |
| Formula: | C14 H12 O4 S |
| Formal charge: | 0 |
| Formula weight: | 276.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2'-[5-(thiophen-2-yl)benzene-1,3-diyl]diacetic acid |
| OpenEye OEToolkits | 2.0.4 | 2-[3-(2-hydroxy-2-oxoethyl)-5-thiophen-2-yl-phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)=O)c1cc(cc(c1)c2cccs2)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H12O4S/c15-13(16)7-9-4-10(8-14(17)18)6-11(5-9)12-2-1-3-19-12/h1-6H,7-8H2,(H,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | KZPRFEGRESQBAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1cc(CC(O)=O)cc(c1)c2sccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1cc(CC(O)=O)cc(c1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O |
