AN1
Summary
| Name: | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID |
| Formula: | C18 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 264.318 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(10-methylanthracen-9-yl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(10-methylanthracen-9-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCc2c3c(c(c1c2cccc1)C)cccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1c2ccccc2c(CCC(O)=O)c3ccccc13 |
| SMILES | CACTVS | 3.341 | Cc1c2ccccc2c(CCC(O)=O)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H16O2/c1-12-13-6-2-4-8-15(13)17(10-11-18(19)20)16-9-5-3-7-14(12)16/h2-9H,10-11H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | CKQINRXZVYBCSC-UHFFFAOYSA-N |
