| Properties | Image |
|---|
| MNX_ID | MNXM744456 |
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| reference | biggM:5ohfvs |
| formula | C24H25FNNaO5 |
| global charge | 0 |
| mol weight | 449.454 |
| InChIKey | MHHBOCPYDHYTEO-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H26FNO5.Na/c1-14(2)26-21-9-7-18(28)12-20(21)24(15-3-5-16(25)6-4-15)22(26)10-8-17(27)11-19(29)13-23(30)31;/h3-10,12,14,17,19,27-29H,11,13H2,1-2H3,(H,30,31);/q;+1/p-1 |
| SMILES | CC(C)N1C2=CC=C(O)C=C2C(C2=CC=C(F)C=C2)=C1C=CC(O)CC(O)CC(=O)O[Na] |
MNX internals
| InChI (mnx) | InChI=1/C24H26FNO5.Na/c1-14(2)26-21-9-7-18(28)12-20(21)24(15-3-5-16(25)6-4-15)22(26)10-8-17(27)11-19(29)13-23(30)31;/h3-10,12,14,17,19,27-29H,11,13H2,1-2H3,(H,30,31);/q;+1/b10-8?;/t17?,19?; |
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| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[N:26]1[C:21]2=[C:20]([CH:12]=[C:18]([OH:28])[CH:7]=[CH:9]2)[C:24]([C:15]2=[CH:4][CH:6]=[C:16]([F:25])[CH:5]=[CH:3]2)=[C:22]1[CH:10]=[CH:8][CH:17]([CH2:11][CH:19]([CH2:13][C:23](=[O:30])[OH:31])[OH:29])[OH:27].[Na+:32] |
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