7E9
Summary
| Name: | 1,3-DIHYDROXYPROPAN-2-YL (Z)-TETRADEC-7-ENOATE |
| Formula: | C17 H32 O4 |
| Formal charge: | 0 |
| Formula weight: | 300.434 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxy-1-(hydroxymethyl)ethyl (7Z)-tetradec-7-enoate |
| OpenEye OEToolkits | 1.7.0 | 1,3-dihydroxypropan-2-yl (Z)-tetradec-7-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC(CO)CO)CCCCC\C=C/CCCCCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCC\C=C/CCCCCC(=O)OC(CO)CO |
| SMILES | CACTVS | 3.370 | CCCCCCC=CCCCCCC(=O)OC(CO)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCC/C=C\CCCCCC(=O)OC(CO)CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCCC=CCCCCCC(=O)OC(CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7- |
| InChIKey | InChI | 1.03 | SSMGVWSPWWDBRB-FPLPWBNLSA-N |
