A1B6J
Summary
| Name: | (6S)-6-phenyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| Formula: | C15 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 242.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6S)-6-phenyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (6~{S})-6-phenyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1coc2CC(CCc21)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H14O3/c16-15(17)13-9-18-14-8-11(6-7-12(13)14)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | ADTMAKKKTGLLSL-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1coc2C[C@H](CCc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1coc2C[CH](CCc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[C@H]2CCc3c(coc3C2)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C2CCc3c(coc3C2)C(=O)O |
