ZTQ
Summary
Name: | (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid |
Formula: | C15 H14 O3 |
Formal charge: | 0 |
Formula weight: | 242.27 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid |
OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(4-phenylphenoxy)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(Oc1ccc(cc1)c1ccccc1)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1 |
InChIKey | InChI | 1.06 | FUPGQEMJIGUBGO-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Oc1ccc(cc1)c2ccccc2)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O)Oc1ccc(cc1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)Oc1ccc(cc1)c2ccccc2 |