6L6
Summary
| Name: | methyl (2Z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate) |
| Formula: | C10 H10 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 226.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (2Z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate) |
| OpenEye OEToolkits | 2.0.4 | methyl (~{Z})-3-(3-hydroxyphenyl)-3-oxidanyl-prop-2-enedithioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(\O)(c1cc(ccc1)O)=C\C(=S)SC |
| InChI | InChI | 1.03 | InChI=1S/C10H10O2S2/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-6,11-12H,1H3/b9-6- |
| InChIKey | InChI | 1.03 | MOMLKGNSDNGKFJ-TWGQIWQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSC(=S)\C=C(O)\c1cccc(O)c1 |
| SMILES | CACTVS | 3.385 | CSC(=S)C=C(O)c1cccc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CSC(=S)/C=C(/c1cccc(c1)O)\O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CSC(=S)C=C(c1cccc(c1)O)O |
