| Properties | Image |
|---|
| MNX_ID | MNXM1192191 |
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| reference | envipathM:...fc95226271b6 |
| formula | C19H20FN2O7PS |
| global charge | -2 |
| mol weight | 470.415 |
| InChIKey | XETWZQNHEJMFKV-LRHSVYTJSA-L |
| InChI | InChI=1S/C19H22FN2O7PS/c1-4-28-30(27,29-5-2)17(12-8-6-7-9-13(12)20)22-19-21-16(11(3)18(25)26)14(31-19)10-15(23)24/h6-10,17H,4-5H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)/p-2/b14-10+,16-11+ |
| SMILES | CCOP(=O)(OCC)C(NC1=NC(=C(\C)C(=O)[O-])/C(=C\C(=O)[O-])S1)C1=C(F)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H22FN2O7PS/c1-4-28-30(27,29-5-2)17(12-8-6-7-9-13(12)20)22-19-21-16(11(3)18(25)26)14(31-19)10-15(23)24/h6-10,17H,4-5H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)/b14-10+,16-11+/t17? |
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| SMILES (mnx) | [CH3:1][CH2:4][O:28][P:30]([CH:17]([C:12]1=[CH:8][CH:6]=[CH:7][CH:9]=[C:13]1[F:20])[NH:22][C:19]1=[N:21][C:16](=[C:11](\[CH3:3])[C:18](=[O:25])[OH:26])/[C:14](=[CH:10]\[C:15](=[O:23])[OH:24])[S:31]1)(=[O:27])[O:29][CH2:5][CH3:2] |
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