PDB CCD ID: | 3G1 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C14 H12 O3 S |
InChI: | InChI=1S/C14H12O3S/c15-14(16)12-8-4-5-9-13(12)18(17)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)/t18-/m0/s1 |
InChIKey: | IHSDWNKZUMUWEX-SFHVURJKSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | OC(=O)c1ccccc1[S](=O)Cc2ccccc2 | ACDLabs 12.01 | O=S(c1ccccc1C(=O)O)Cc2ccccc2 | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)CS(=O)c2ccccc2C(=O)O | CACTVS 3.385 | OC(=O)c1ccccc1[S@@](=O)Cc2ccccc2 | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)C[S@](=O)c2ccccc2C(=O)O |
|
Name: | 2-[(S)-benzylsulfinyl]benzoic acid |
ZINC: | ZINC000000391509 |