A1L54
Summary
| Name: | Coumarin 153 |
| Synonyms: | 6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one |
| Formula: | C16 H14 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 309.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2 |
| InChIKey | InChI | 1.06 | VSSSHNJONFTXHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34 |
| SMILES | CACTVS | 3.385 | FC(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c3c(c4c1C(=CC(=O)O4)C(F)(F)F)CCCN3CCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c3c(c4c1C(=CC(=O)O4)C(F)(F)F)CCCN3CCC2 |
