U5B
Summary
| Name: | 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid |
| Synonyms: | (Acenaphthen-5-ylsulfanyl)-acetic acid |
| Formula: | C14 H12 O2 S |
| Formal charge: | 0 |
| Formula weight: | 244.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12O2S/c15-13(16)8-17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16) |
| InChIKey | InChI | 1.03 | ILIYQPKGPUGGBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CSc1ccc2CCc3cccc1c23 |
| SMILES | CACTVS | 3.385 | OC(=O)CSc1ccc2CCc3cccc1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2 |
