RCX
Summary
Name: | Rofecoxib |
Synonyms: | Vioxx |
Formula: | C17 H14 O4 S |
Formal charge: | 0 |
Formula weight: | 314.356 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.5 | 3-(4-methylsulfonylphenyl)-4-phenyl-2~{H}-furan-5-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
InChIKey | InChI | 1.03 | RZJQGNCSTQAWON-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.5 | CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 |