PDB CCD ID: | 6L6 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C10 H10 O2 S2 |
InChI: | 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: | MOMLKGNSDNGKFJ-TWGQIWQCSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | C(\O)(c1cc(ccc1)O)=C\C(=S)SC | OpenEye OEToolkits 2.0.4 | CSC(=S)C=C(c1cccc(c1)O)O | OpenEye OEToolkits 2.0.4 | CSC(=S)/C=C(/c1cccc(c1)O)\O | CACTVS 3.385 | CSC(=S)\C=C(O)\c1cccc(O)c1 | CACTVS 3.385 | CSC(=S)C=C(O)c1cccc(O)c1 |
|
Name: | methyl (2Z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate) |
ZINC: | ZINC000584904746 |