1LP
Summary
Name: | TRANYLCYPROMINE |
Synonyms: | (2S)-2-PHENYLPROPANAL |
Formula: | C9 H10 O |
Formal charge: | 0 |
Formula weight: | 134.175 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-2-phenylpropanal |
OpenEye OEToolkits | 1.5.0 | (2S)-2-phenylpropanal |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CC(c1ccccc1)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](C=O)c1ccccc1 |
SMILES | CACTVS | 3.341 | C[CH](C=O)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C=O)c1ccccc1 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C=O)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1 |
InChIKey | InChI | 1.03 | IQVAERDLDAZARL-MRVPVSSYSA-N |