AJU
Summary
| Name: | 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid |
| Synonyms: | 4'-Carboxybenzo-18-crown 6-Ether |
| Formula: | C17 H24 O8 |
| Formal charge: | 0 |
| Formula weight: | 356.368 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 |
| InChI | InChI | 1.03 | InChI=1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19) |
| InChIKey | InChI | 1.03 | GFQYJVLOPVAPGJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2OCCOCCOCCOCCOCCOc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2OCCOCCOCCOCCOCCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2 |
