FSL
Summary
Name: | (2R)-2-phenylbutanedioic acid |
Formula: | C10 H10 O4 |
Formal charge: | 0 |
Formula weight: | 194.184 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R)-2-phenylbutanedioic acid |
OpenEye OEToolkits | 1.7.6 | 2-phenylbutanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(c1ccccc1)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m1/s1 |
InChIKey | InChI | 1.03 | LVFFZQQWIZURIO-MRVPVSSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H](C(O)=O)c1ccccc1 |
SMILES | CACTVS | 3.385 | OC(=O)C[CH](C(O)=O)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(CC(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(CC(=O)O)C(=O)O |