U62
Summary
| Name: | 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid |
| Formula: | C12 H8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 232.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14) |
| InChIKey | InChI | 1.03 | ZMEWPWRPNHFDRC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc2c(COc3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc2c(COc3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2 |
