C0V
Summary
| Name: | (2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid |
| Formula: | C14 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 242.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid |
| OpenEye OEToolkits | 2.0.6 | (~{Z})-4-naphthalen-2-yl-2-oxidanyl-4-oxidanylidene-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc1ccccc1cc2C([C@H]=C(C(O)=O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H10O4/c15-12(8-13(16)14(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,16H,(H,17,18)/b13-8- |
| InChIKey | InChI | 1.03 | MXSFSJCCMVMMQM-JYRVWZFOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C(O)=C\C(=O)c1ccc2ccccc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)C(O)=CC(=O)c1ccc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)C(=O)C=C(C(=O)O)O |
