Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(OCCCC(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C)(O)O |
InChI | InChI | 1.03 | InChI=1S/C32H67O4P/c1-7-8-9-10-11-17-28(2)18-12-19-29(3)20-13-21-30(4)22-14-23-31(5)24-15-25-32(6)26-16-27-36-37(33,34)35/h28-32H,7-27H2,1-6H3,(H2,33,34,35)/t28-,29+,30+,31+,32-/m1/s1 |
InChIKey | InChI | 1.03 | WLNOCCJMGSEDAT-GCIGRYLYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCO[P](O)(O)=O |
SMILES | CACTVS | 3.385 | CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O |