L6J
Summary
| Name: | [(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid |
| Formula: | C16 H18 O6 |
| Formal charge: | 0 |
| Formula weight: | 306.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(2-methoxyphenyl)carbonylcyclopentyl]propanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(C(c1c(cccc1)OC)=O)CCCC2C(C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H18O6/c1-22-12-8-3-2-5-11(12)14(17)10-7-4-6-9(10)13(15(18)19)16(20)21/h2-3,5,8-10,13H,4,6-7H2,1H3,(H,18,19)(H,20,21)/t9?,10-/m1/s1 |
| InChIKey | InChI | 1.03 | KFADNUOGNGGPQM-QVDQXJPCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1C(=O)[C@@H]2CCC[C@H]2C(C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1C(=O)[CH]2CCC[CH]2C(C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O |
