Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)CC(CCCC(C)CCCC(C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCC[C@@H](C)CCC[C@@H](C)C[C@@H](O)[P](O)(O)=O |
SMILES | CACTVS | 3.341 | CC(C)CCC[CH](C)CCC[CH](C)C[CH](O)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CCCC(C)CCCC(C)CC(O)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C15H33O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h12-16H,5-11H2,1-4H3,(H2,17,18,19)/t13-,14-,15+/m1/s1 |
InChIKey | InChI | 1.03 | IJNCEETVCWDDQB-KFWWJZLASA-N |