7CZ
Summary
| Name: | 2-hydroxycyclohepta-2,4,6-triene-1-thione |
| Formula: | C7 H6 O S |
| Formal charge: | 0 |
| Formula weight: | 138.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxycyclohepta-2,4,6-triene-1-thione |
| OpenEye OEToolkits | 2.0.6 | 2-oxidanylcyclohepta-2,4,6-triene-1-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1C=CC=CC=C1O |
| InChI | InChI | 1.03 | InChI=1S/C7H6OS/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) |
| InChIKey | InChI | 1.03 | DNBQDZRBEGFUEA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC=CC=CC1=S |
| SMILES | CACTVS | 3.385 | OC1=CC=CC=CC1=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=CC=C(C(=S)C=C1)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=CC=C(C(=S)C=C1)O |
