Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
| InChI | InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18) |
|---|---|
| SMILES | Oc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O |
| InChI Key | HLVXFWDLRHCZEI-UHFFFAOYSA-N |
| Molecular Formula | C10H8O8S2 |
| Exact Mass | 320.296 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/HLVXFWDLRHCZEI-UHFFFAOYSA-N/CHMO0000601 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/HLVXFWDLRHCZEI-UHFFFAOYSA-N/CHMO0000601 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-02-04T13:28:04.959124 |
| MetadataModified | 2025-02-04T13:28:04.959129 |
| MetadataPublished | 2025-01-17 |
| Related Molecule |