ON5
Summary
| Name: | (Z)-7-[(1R,2R,3R,5R)-5-chloranyl-3-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid |
| Formula: | C20 H33 Cl O4 |
| Formal charge: | 0 |
| Formula weight: | 372.927 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5Z,9beta,11alpha,12alpha,13E,15S)-9-chloro-11,15-dihydroxyprosta-5,13-dien-1-oic acid |
| OpenEye OEToolkits | 1.7.6 | (Z)-7-[(1R,2R,3R,5R)-5-chloranyl-3-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClC1CC(O)C(/C=C/C(O)CCCCC)C1C\C=C/CCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H33ClO4/c1-2-3-6-9-15(22)12-13-17-16(18(21)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1 |
| InChIKey | InChI | 1.03 | RDZUDQFNGNUIKH-JZFBHDEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](Cl)[CH]1CC=CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)Cl)O)O |
