HHA
Summary
| Name: | (2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID |
| Formula: | C7 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 155.151 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (5S,6S)-6-amino-5-hydroxy-cyclohexa-1,3-diene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1=CC=CC(O)C1N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]1[C@@H](O)C=CC=C1C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH]1[CH](O)C=CC=C1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CC(C(C(=C1)C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | XBTXTLKLSHACSS-WDSKDSINSA-N |
