SC0
Summary
| Name: | (6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID) |
| Formula: | C17 H34 O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 396.396 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (6E,11E)-heptadeca-6,11-diene-9,9-diylbis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | [(6E,11E)-9-phosphonoheptadeca-6,11-dien-9-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(C/C=C/CCCCC)(C/C=C/CCCCC)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC\C=C\CC(C\C=C\CCCCC)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC=CCC(CC=CCCCCC)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC=CCC(CC=CCCCCC)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H34O6P2/c1-3-5-7-9-11-13-15-17(24(18,19)20,25(21,22)23)16-14-12-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3,(H2,18,19,20)(H2,21,22,23)/b13-11+,14-12+ |
| InChIKey | InChI | 1.03 | PFKBXXKNHWTTCS-PHEQNACWSA-N |
