| Properties | Image |
|---|
| MNX_ID | MNXM744703 |
 |
| reference | biggM:fvstetglu |
| formula | C23H21FNNaO8 |
| global charge | 0 |
| mol weight | 481.408 |
| InChIKey | ZFNRHVXQJMQKJM-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H22FNO8.Na/c24-12-7-5-11(6-8-12)17-13-3-1-2-4-14(13)25(15(17)9-10-16(26)27)22-20(30)18(28)19(29)21(33-22)23(31)32;/h1-8,18-22,28-30H,9-10H2,(H,26,27)(H,31,32);/q;+1/p-1 |
| SMILES | O=C(CCC1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N1C1OC(C(=O)O)C(O)C(O)C1O)O[Na] |
MNX internals
| InChI (mnx) | InChI=1/C23H22FNO8.Na/c24-12-7-5-11(6-8-12)17-13-3-1-2-4-14(13)25(15(17)9-10-16(26)27)22-20(30)18(28)19(29)21(33-22)23(31)32;/h1-8,18-22,28-30H,9-10H2,(H,26,27)(H,31,32);/q;+1/t18?,19?,20?,21?,22?; |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:14]2[C:13](=[CH:3]1)[C:17]([C:11]1=[CH:6][CH:8]=[C:12]([F:24])[CH:7]=[CH:5]1)=[C:15]([CH2:9][CH2:10][C:16](=[O:26])[OH:27])[N:25]2[CH:22]1[CH:20]([OH:30])[CH:18]([OH:28])[CH:19]([OH:29])[CH:21]([C:23](=[O:31])[OH:32])[O:33]1.[Na+:34] |
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