Dataset
![molecular Image]()
Benzenesulfonic acid
Chemical Info
| InChI | InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9) |
|---|---|
| SMILES | OS(=O)(=O)C1=CC=CC=C1 |
| InChI Key | SRSXLGNVWSONIS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3S |
| Exact Mass | 158.004 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU238858 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T10:02:24.266581 |
| MetadataModified | 2025-02-08T19:08:07.058470 |
| MetadataPublished | 2019-03-29 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| ZINC000001555312 | ZINC |
| J62.182J | Nikkaji |
| SCHEMBL17942459 | SureChEMBL |
| 122424353 | PubChem |
| DTXSID9024568 | EPA CompTox Dashboard |
| HMDB0248986 | Human Metabolome Database |
| ASEFIQ | CCDC |
| BENZENESULFONATE | rxnorm |
| BENZENESULFONIC ACID | rxnorm |
| BNS | PDBe |
| CHEMBL1422641 | ChEMBL |
| 479967 | eMolecules |
| 98-11-3 | ACToR |
| 14769499 | PubChem: Thomson Pharma |
| 64455 | ChEBI |
| PD013812 | ProbesDrugs |
| 7371 | PubChem |
| 685928Z18A | FDA SRS |
| MCULE-3169739755 | Mcule |
| 10016715 | NMRShiftDB |
| SCHEMBL2509 | SureChEMBL |
| CB4668758 | ChemicalBook |
| 92535 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |